ethyl 6-(4-fluorophenyl)-2-oxidanylidene-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-fluorophenyl)-2-oxidanylidene-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(4-fluorophenyl)-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-fluorophenyl)-2-oxo-4-(1-piperazinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-fluorophenyl)-2-oxo-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(4-fluorophenyl)-2-keto-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)CC=C)CN3CCNCC3

InChI

InChI=1S/C21H27FN4O3/c1-3-11-26-17(14-25-12-9-23-10-13-25)18(20(27)29-4-2)19(24-21(26)28)15-5-7-16(22)8-6-15/h3,5-8,19,23H,1,4,9-14H2,2H3,(H,24,28)