CHEBI:91836 - N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide
ChEBI ID CHEBI:91836
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H26N4O3S2
Net Charge 0
Average Mass 398.546
Monoisotopic Mass 398.14463
InChI InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)
InChIKey JTLXCMOFVBXEKD-UHFFFAOYSA-N
SMILES CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide (CHEBI:91836) is a aminopyrimidine (CHEBI:38338)
N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide (CHEBI:91836) is a formamides (CHEBI:24079)
N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide (CHEBI:91836) is a homoallylic alcohol (CHEBI:134362)
N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[5-hydroxy-3-(2-oxolanylmethyldisulfanyl)pent-2-en-2-yl]formamide (CHEBI:91836) is a organic disulfide (CHEBI:35489)
Manual Xref Database
LSM-1753 LINCS
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Last Modified
01 March 2017