8-[3-(aminomethyl)piperidin-1-yl]-1,3-dimethyl-7-(phenylmethyl)-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[3-(aminomethyl)piperidin-1-yl]-1,3-dimethyl-7-(phenylmethyl)-4,5-dihydropurine-2,6-dione Openeye Name: 8-[3-(aminomethyl)-1-piperidyl]-7-benzyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-[3-(aminomethyl)-1-piperidinyl]-1,3-dimethyl-7-(phenylmethyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 8-[3-(aminomethyl)piperidin-1-yl]-7-benzyl-1,3-dimethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-[3-(aminomethyl)piperidino]-7-benzyl-1,3-dimethyl-4,5-dihydropurine-2,6-quinone Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)CN)CC4=CC=CC=C4

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)CN)CC4=CC=CC=C4

InChI

InChI=1S/C20H28N6O2/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-7-4-3-5-8-14)19(22-17)25-10-6-9-15(11-21)12-25/h3-5,7-8,15-17H,6,9-13,21H2,1-2H3