8-(4-methylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one

Systemtic Name: 8-(4-methylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one Openeye Name: 8-(4-methylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one CAS Name: 8-(4-methyl-1-piperazinyl)-3-(propylthio)-7H-purin-2-one IUPAC Name: 8-(4-methylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one Traditional Name: 8-(4-methylpiperazino)-3-(propylthio)-7H-purin-2-one Formula: C13H20N6OS MolecularWeight: 308.4025

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C

Isomeric SMILES

CCCSN1C2=C(C=NC1=O)NC(=N2)N3CCN(CC3)C

InChI

InChI=1S/C13H20N6OS/c1-3-8-21-19-11-10(9-14-13(19)20)15-12(16-11)18-6-4-17(2)5-7-18/h9H,3-8H2,1-2H3,(H,15,16)