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

Systemtic Name: propan-2-yl 3-[3-[ethanoyl-(phenylmethyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-[3-[acetyl(benzyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[3-[acetyl-(phenylmethyl)amino]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-[acetyl(benzyl)amino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-[acetyl(benzyl)amino]propyl]-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCN(CC2=CC=CC=C2)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCN(CC2=CC=CC=C2)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C27H32N4O6/c1-18(2)37-26(33)24-19(3)28-27(34)30(25(24)22-12-8-13-23(16-22)31(35)36)15-9-14-29(20(4)32)17-21-10-6-5-7-11-21/h5-8,10-13,16,18,25H,9,14-15,17H2,1-4H3,(H,28,34)