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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-(cyclohexylamino)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-(cyclohexylamino)-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(cyclohexylamino)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-(cyclohexylamino)-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(cyclohexylamino)-1-methyl-purin-6-one Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1NC3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1NC3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

InChI

InChI=1S/C24H33N7O/c1-29-22(32)20-21(27-23(29)26-19-12-6-3-7-13-19)28-24(30-14-8-11-18(25)16-30)31(20)15-17-9-4-2-5-10-17/h2,4-5,9-10,18-19H,3,6-8,11-16,25H2,1H3,(H,26,27)