1,3-bis(4-methoxybenzyl)-2-phenylhexahydropyrimidine (CHEBI:228512)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1,3-bis(4-methoxybenzyl)-2-phenylhexahydropyrimidine

ChEBI ID	CHEBI:228512

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H30N2O2

Net Charge

Average Mass

402.538

Monoisotopic Mass

402.23073

InChI

InChI=1S/C26H30N2O2/c1-29-24-13-9-21(10-14-24)19-27-17-6-18-28(26(27)23-7-4-3-5-8-23)20-22-11-15-25(30-2)16-12-22/h3-5,7-16,26H,6,17-20H2,1-2H3

InChIKey

UCRCKXHQNNHFBL-UHFFFAOYSA-N

SMILES

O(C1=CC=C(CN2C(N(CCC2)CC3=CC=C(OC)C=C3)C4=CC=CC=C4)C=C1)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	1,3-bis(4-methoxybenzyl)-2-phenylhexahydropyrimidine (CHEBI:228512) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

1,3-bis[(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinane