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

Systemtic Name: 4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(dimethylaminomethyl)-5-methyl-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(dimethylaminomethyl)-5-methylpyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=NC=C3)C=C1CN(C)C

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=NC=C3)/C=C1CN(C)C

InChI

InChI=1S/C16H18N6O/c1-10-11(8-22(2)3)6-12(19-10)7-13-15(20-21-16(13)23)14-4-5-17-9-18-14/h4-7,9H,8H2,1-3H3,(H2,20,21,23)/b12-7+