2-methoxyethyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbamoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[(4-nitroanilino)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[(4-nitrophenyl)carbamoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C23H25N5O6S/c1-14-19(21(29)34-12-11-33-3)20(26-23(35)27(14)2)15-5-4-6-17(13-15)25-22(30)24-16-7-9-18(10-8-16)28(31)32/h4-10,13,20H,11-12H2,1-3H3,(H,26,35)(H2,24,25,30)