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

Systemtic Name: ethyl 6-(4-methylphenyl)-2-oxidanylidene-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-4-(piperazin-1-ylmethyl)-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methylphenyl)-2-oxo-4-(1-piperazinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylphenyl)-2-oxo-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-(piperazinomethyl)-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-4-12-26-18(15-25-13-10-23-11-14-25)19(21(27)29-5-2)20(24-22(26)28)17-8-6-16(3)7-9-17/h4,6-9,20,23H,1,5,10-15H2,2-3H3,(H,24,28)