8-(3-azanylpiperidin-1-yl)-1-methyl-2-methylsulfanyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-2-methylsulfanyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-2-methylsulfanyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-2-(methylthio)-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-methylsulfanylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-methyl-2-(methylthio)purin-6-one Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N)N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N)N=C1SC

InChI

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