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

Systemtic Name: ethyl 2-oxidanylidene-6-phenyl-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-6-phenyl-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-6-phenyl-4-(1-piperazinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-phenyl-4-(piperazin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-6-phenyl-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-3-12-25-17(15-24-13-10-22-11-14-24)18(20(26)28-4-2)19(23-21(25)27)16-8-6-5-7-9-16/h3,5-9,19,22H,1,4,10-15H2,2H3,(H,23,27)