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

Systemtic Name: 4-[(E)-[4-[2-(ethylamino)ethyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-[2-(ethylamino)ethyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-[2-(ethylamino)ethyl]-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(4-pyrimidinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-[2-(ethylamino)ethyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrimidin-4-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-[2-(ethylamino)ethyl]-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-(4-pyrimidyl)-3-pyrazolin-3-one Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC1=C(C(=CC2=C(NNC2=O)C3=NC=NC=C3)N=C1C)C

Isomeric SMILES

CCNCCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=NC=C3)/N=C1C)C

InChI

InChI=1S/C18H22N6O/c1-4-19-7-5-13-11(2)16(22-12(13)3)9-14-17(23-24-18(14)25)15-6-8-20-10-21-15/h6,8-10,19H,4-5,7H2,1-3H3,(H2,23,24,25)/b16-9+