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4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one
4-[(E)-[4-(dimethylaminomethyl)-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-2-yl-1,2-dihydropyrazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=NC(=CC2=C(NNC2=O)C3=NC=CC=N3)C=C1CN(C)C
Isomeric SMILES
CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CC=N3)/C=C1CN(C)C
InChI
InChI=1S/C16H18N6O/c1-10-11(9-22(2)3)7-12(19-10)8-13-14(20-21-16(13)23)15-17-5-4-6-18-15/h4-8H,9H2,1-3H3,(H2,20,21,23)/b12-8+
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