ethyl 4-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyclopropylcarbonylpiperazin-1-yl)methyl]-6-(3-fluorophenyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-6-(3-fluorophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-6-(3-fluorophenyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(cyclopropanecarbonyl)piperazino]methyl]-6-(3-fluorophenyl)-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H31FN4O4 MolecularWeight: 470.536443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)F)CC=C)CN3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)F)CC=C)CN3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C25H31FN4O4/c1-3-10-30-20(16-28-11-13-29(14-12-28)23(31)17-8-9-17)21(24(32)34-4-2)22(27-25(30)33)18-6-5-7-19(26)15-18/h3,5-7,15,17,22H,1,4,8-14,16H2,2H3,(H,27,33)