6-[4-(phenylmethyl)piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one

Systemtic Name: 6-[4-(phenylmethyl)piperazin-1-yl]-3-propylsulfanyl-7H-purin-2-one Openeye Name: 6-(4-benzylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one CAS Name: 6-[4-(phenylmethyl)-1-piperazinyl]-3-(propylthio)-7H-purin-2-one IUPAC Name: 6-(4-benzylpiperazin-1-yl)-3-propylsulfanyl-7H-purin-2-one Traditional Name: 6-(4-benzylpiperazino)-3-(propylthio)-7H-purin-2-one Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)CC4=CC=CC=C4)NC=N2

Isomeric SMILES

CCCSN1C2=C(C(=NC1=O)N3CCN(CC3)CC4=CC=CC=C4)NC=N2

InChI

InChI=1S/C19H24N6OS/c1-2-12-27-25-17-16(20-14-21-17)18(22-19(25)26)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,20,21)