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

Systemtic Name: 2-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[6-[2-(2,4-dichlorophenyl)ethylamino]-4-pyrimidinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C20H16Cl2N6O MolecularWeight: 427.28664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CNN(C2=O)C3=CC(=NC=N3)NCCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=CNN(C2=O)C3=CC(=NC=N3)NCCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H16Cl2N6O/c21-15-4-3-13(17(22)8-15)5-7-24-18-9-19(26-12-25-18)28-20(29)16(11-27-28)14-2-1-6-23-10-14/h1-4,6,8-12,27H,5,7H2,(H,24,25,26)