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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-methylsulfanyl-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-methylsulfanyl-3H-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(methylthio)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-methylsulfanyl-3H-purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(methylthio)-3H-purin-6-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N

InChI

InChI=1S/C18H22N6OS/c1-26-17-20-15-14(16(25)22-17)24(10-12-6-3-2-4-7-12)18(21-15)23-9-5-8-13(19)11-23/h2-4,6-7,13H,5,8-11,19H2,1H3,(H,20,22,25)