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

Systemtic Name: propan-2-yl 6-methyl-3-[3-[methyl(2-thiophen-2-ylethanoyl)amino]propyl]-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-methyl-3-[3-[methyl-[2-(2-thienyl)acetyl]amino]propyl]-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-3-[3-[methyl-(1-oxo-2-thiophen-2-ylethyl)amino]propyl]-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-3-[3-[methyl-(2-thiophen-2-ylacetyl)amino]propyl]-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-3-[3-[methyl-[2-(2-thienyl)acetyl]amino]propyl]-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(C)C(=O)CC2=CC=CS2)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)CC2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C25H30N4O6S/c1-16(2)35-24(31)22-17(3)26-25(32)28(23(22)18-8-5-9-19(14-18)29(33)34)12-7-11-27(4)21(30)15-20-10-6-13-36-20/h5-6,8-10,13-14,16,23H,7,11-12,15H2,1-4H3,(H,26,32)