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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-7-(phenylmethyl)-2-(piperidin-1-ylamino)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-2-(1-piperidylamino)purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-7-(phenylmethyl)-2-(1-piperidinylamino)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-(piperidin-1-ylamino)purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-methyl-2-(piperidinoamino)purin-6-one Formula: C23H32N8O MolecularWeight: 436.55318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1NN3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1NN3CCCCC3)N=C(N2CC4=CC=CC=C4)N5CCCC(C5)N

InChI

InChI=1S/C23H32N8O/c1-28-21(32)19-20(25-22(28)27-30-13-6-3-7-14-30)26-23(29-12-8-11-18(24)16-29)31(19)15-17-9-4-2-5-10-17/h2,4-5,9-10,18H,3,6-8,11-16,24H2,1H3,(H,25,27)