6-[4-(aminomethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]-7,9-dihydropurin-8-one

Systemtic Name: 6-[4-(aminomethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]-7,9-dihydropurin-8-one Openeye Name: 6-[4-(aminomethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]-1-piperidyl]-7,9-dihydropurin-8-one CAS Name: 6-[4-(aminomethyl)-4-[3-(1-methyl-4-pyrazolyl)phenyl]-1-piperidinyl]-7,9-dihydropurin-8-one IUPAC Name: 6-[4-(aminomethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]-7,9-dihydropurin-8-one Traditional Name: 6-[4-(aminomethyl)-4-[3-(1-methylpyrazol-4-yl)phenyl]piperidino]-7,9-dihydropurin-8-one Formula: C21H24N8O MolecularWeight: 404.46826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC(=O)N5)CN

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC(=O)N5)CN

InChI

InChI=1S/C21H24N8O/c1-28-11-15(10-25-28)14-3-2-4-16(9-14)21(12-22)5-7-29(8-6-21)19-17-18(23-13-24-19)27-20(30)26-17/h2-4,9-11,13H,5-8,12,22H2,1H3,(H2,23,24,26,27,30)