4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-diethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=CC2=C(NNC2=O)C3=NC=NC=C3)N=C1C)C

Isomeric SMILES

CCN(CC)CCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=NC=C3)/N=C1C)C

InChI

InChI=1S/C20H26N6O/c1-5-26(6-2)10-8-15-13(3)18(23-14(15)4)11-16-19(24-25-20(16)27)17-7-9-21-12-22-17/h7,9,11-12H,5-6,8,10H2,1-4H3,(H2,24,25,27)/b18-11+