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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-2-(cyclohexylmethylamino)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-(cyclohexylmethylamino)-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-2-(cyclohexylmethylamino)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-2-(cyclohexylmethylamino)-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(cyclohexylmethylamino)-1-methyl-purin-6-one Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1NCC3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1NCC3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

InChI

InChI=1S/C25H35N7O/c1-30-23(33)21-22(28-24(30)27-15-18-9-4-2-5-10-18)29-25(31-14-8-13-20(26)17-31)32(21)16-19-11-6-3-7-12-19/h3,6-7,11-12,18,20H,2,4-5,8-10,13-17,26H2,1H3,(H,27,28)