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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-2-(phenethylamino)-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-2-(phenethylamino)purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-2-(phenethylamino)-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-(phenethylamino)purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-methyl-2-(phenethylamino)purin-6-one Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1NCCC3=CC=CC=C3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1NCCC3=CC=CC=C3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

InChI

InChI=1S/C26H31N7O/c1-31-24(34)22-23(29-25(31)28-15-14-19-9-4-2-5-10-19)30-26(32-16-8-13-21(27)18-32)33(22)17-20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18,27H2,1H3,(H,28,29)