6-(aminomethyl)-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(aminomethyl)-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[4-[[4-(3-pyridyl)piperazin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[4-[[4-(3-pyridinyl)-1-piperazinyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[4-[(4-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[4-[[4-(3-pyridyl)piperazino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CN)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CN)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O/c22-13-18-12-20(28)25-21(24-18)17-5-3-16(4-6-17)15-26-8-10-27(11-9-26)19-2-1-7-23-14-19/h1-7,12,14H,8-11,13,15,22H2,(H,24,25,28)