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

Systemtic Name: ethyl 6-(4-methylphenyl)-4-(morpholin-4-ylmethyl)-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-(morpholinomethyl)-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methylphenyl)-4-(4-morpholinylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylphenyl)-4-(morpholin-4-ylmethyl)-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-(morpholinomethyl)-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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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)CN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)C)CC=C)CN3CCOCC3

InChI

InChI=1S/C22H29N3O4/c1-4-10-25-18(15-24-11-13-28-14-12-24)19(21(26)29-5-2)20(23-22(25)27)17-8-6-16(3)7-9-17/h4,6-9,20H,1,5,10-15H2,2-3H3,(H,23,27)