propan-2-yl 3-[3-[(4-cyanophenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-[3-[(4-cyanophenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[(4-cyanobenzoyl)-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[(4-cyanophenyl)-oxomethyl]-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[(4-cyanobenzoyl)-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[(4-cyanobenzoyl)-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H29N5O6 MolecularWeight: 519.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C27H29N5O6/c1-17(2)38-26(34)23-18(3)29-27(35)31(24(23)21-7-5-8-22(15-21)32(36)37)14-6-13-30(4)25(33)20-11-9-19(16-28)10-12-20/h5,7-12,15,17,24H,6,13-14H2,1-4H3,(H,29,35)