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

Systemtic Name: ethyl 2-oxidanylidene-6-(3-phenoxyphenyl)-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-6-(3-phenoxyphenyl)-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-(3-phenoxyphenyl)-4-(1-piperazinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-(3-phenoxyphenyl)-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-(3-phenoxyphenyl)-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)CC=C)CN4CCNCC4

InChI

InChI=1S/C27H32N4O4/c1-3-15-31-23(19-30-16-13-28-14-17-30)24(26(32)34-4-2)25(29-27(31)33)20-9-8-12-22(18-20)35-21-10-6-5-7-11-21/h3,5-12,18,25,28H,1,4,13-17,19H2,2H3,(H,29,33)