Chemical Components in the PDB

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JM0 : Summary

Code

JM0

One-letter code

X

Molecule name

N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide
OpenEye OEToolkits 2.0.7 ~{N}-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-yl)methanesulfonamide

Formula

C15 H19 N5 O3 S

Formal charge

0

Molecular weight

349.408 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC
SMILES CACTVS 3.385 CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C
Canonical SMILES CACTVS 3.385 CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C

IUPAC InChI

InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)

IUPAC InChI key

WYHTXPAKFZNNJB-UHFFFAOYSA-N
JM0

wwPDB Information

Atom count

43 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-01

Last modified at

2022-10-07

Status

Released

Obsoleted

Not Assigned