6-methylsulfanyl-3-propyl-8-pyridin-3-yl-7H-purin-2-one

Systemtic Name: 6-methylsulfanyl-3-propyl-8-pyridin-3-yl-7H-purin-2-one Openeye Name: 6-methylsulfanyl-3-propyl-8-(3-pyridyl)-7H-purin-2-one CAS Name: 6-(methylthio)-3-propyl-8-(3-pyridinyl)-7H-purin-2-one IUPAC Name: 6-methylsulfanyl-3-propyl-8-pyridin-3-yl-7H-purin-2-one Traditional Name: 6-(methylthio)-3-propyl-8-(3-pyridyl)-7H-purin-2-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C14H15N5OS/c1-3-7-19-12-10(13(21-2)18-14(19)20)16-11(17-12)9-5-4-6-15-8-9/h4-6,8H,3,7H2,1-2H3,(H,16,17)