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

Systemtic Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-pyrimidin-2-yl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-pyrimidin-2-yl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-(2-pyrimidinyl)-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-pyrimidin-2-ylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-(2-pyrimidyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C23H26N8O MolecularWeight: 430.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1C)C4=NC=CC=N4

Isomeric SMILES

CCN(CC)CCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=CN=C3)/N=C1C)C4=NC=CC=N4

InChI

InChI=1S/C23H26N8O/c1-4-31(5-2)12-7-16-15(3)28-18(20(16)22-26-8-6-9-27-22)13-17-21(29-30-23(17)32)19-14-24-10-11-25-19/h6,8-11,13-14H,4-5,7,12H2,1-3H3,(H2,29,30,32)/b18-13+