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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-(dimethylamino)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-(dimethylamino)-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(dimethylamino)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-(dimethylamino)-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(dimethylamino)-1-methyl-purin-6-one Formula: C20H27N7O MolecularWeight: 381.47468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N)N=C1N(C)C

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N)N=C1N(C)C

InChI

InChI=1S/C20H27N7O/c1-24(2)19-22-17-16(18(28)25(19)3)27(12-14-8-5-4-6-9-14)20(23-17)26-11-7-10-15(21)13-26/h4-6,8-9,15H,7,10-13,21H2,1-3H3