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

Systemtic Name: propan-2-yl 3-[3-[(3-aminophenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[(3-aminobenzoyl)-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[(3-aminophenyl)-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-[(3-aminobenzoyl)-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[(3-aminobenzoyl)-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H31N5O6 MolecularWeight: 509.55424

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H31N5O6/c1-16(2)37-25(33)22-17(3)28-26(34)30(23(22)18-8-6-11-21(15-18)31(35)36)13-7-12-29(4)24(32)19-9-5-10-20(27)14-19/h5-6,8-11,14-16,23H,7,12-13,27H2,1-4H3,(H,28,34)