2-[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

Systemtic Name: 2-[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[6-[2-(p-tolyl)ethylamino]pyrimidin-4-yl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[6-[2-(4-methylphenyl)ethylamino]-4-pyrimidinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[6-[2-(p-tolyl)ethylamino]pyrimidin-4-yl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC2=NC=NC(=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC2=NC=NC(=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

InChI

InChI=1S/C21H20N6O/c1-15-4-6-16(7-5-15)8-10-23-19-11-20(25-14-24-19)27-21(28)18(13-26-27)17-3-2-9-22-12-17/h2-7,9,11-14,26H,8,10H2,1H3,(H,23,24,25)