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

Systemtic Name: propan-2-yl 3-[3-[(4-iodophenyl)carbonyl-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[(4-iodobenzoyl)-methyl-amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[[(4-iodophenyl)-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-iodobenzoyl)-methylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[(4-iodobenzoyl)-methyl-amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H29IN4O6 MolecularWeight: 620.43613

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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)I)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)I)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C26H29IN4O6/c1-16(2)37-25(33)22-17(3)28-26(34)30(23(22)19-7-5-8-21(15-19)31(35)36)14-6-13-29(4)24(32)18-9-11-20(27)12-10-18/h5,7-12,15-16,23H,6,13-14H2,1-4H3,(H,28,34)