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

Systemtic Name: ethyl 3-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[(3-methylpiperazino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CN4CCNC(C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CN4CCNC(C4)C

InChI

InChI=1S/C26H32N4O4/c1-4-33-25(31)23-22(17-30-14-13-27-18(2)16-30)29(3)26(32)28-24(23)19-9-8-12-21(15-19)34-20-10-6-5-7-11-20/h5-12,15,18,24,27H,4,13-14,16-17H2,1-3H3,(H,28,32)