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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-methylsulfanyl-1,7-bis(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-1,7-dibenzyl-2-methylsulfanyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(methylthio)-1,7-bis(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-1,7-dibenzyl-2-methylsulfanylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-1,7-dibenzyl-2-(methylthio)purin-6-one Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6OS/c1-33-25-28-22-21(23(32)31(25)16-19-11-6-3-7-12-19)30(15-18-9-4-2-5-10-18)24(27-22)29-14-8-13-20(26)17-29/h2-7,9-12,20H,8,13-17,26H2,1H3