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

Systemtic Name: ethyl 4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-phenyl-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methylpiperazino)methyl]-6-phenyl-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=CC=C2)CC=C)CN3CCNC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)CC=C)CN3CCNC(C3)C

InChI

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