methyl 3,6-dimethyl-1-(3-nitrophenyl)-2-oxidanylidene-4-thiophen-3-yl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl 3,6-dimethyl-1-(3-nitrophenyl)-2-oxidanylidene-4-thiophen-3-yl-4H-pyrimidine-5-carboxylate Openeye Name: methyl 3,6-dimethyl-1-(3-nitrophenyl)-2-oxo-4-(3-thienyl)-4H-pyrimidine-5-carboxylate CAS Name: 3,6-dimethyl-1-(3-nitrophenyl)-2-oxo-4-(3-thiophenyl)-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,6-dimethyl-1-(3-nitrophenyl)-2-oxo-4-thiophen-3-yl-4H-pyrimidine-5-carboxylate Traditional Name: 2-keto-3,6-dimethyl-1-(3-nitrophenyl)-4-(3-thienyl)-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1C2=CC(=CC=C2)[N+](=O)[O-])C)C3=CSC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1C2=CC(=CC=C2)[N+](=O)[O-])C)C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O5S/c1-11-15(17(22)26-3)16(12-7-8-27-10-12)19(2)18(23)20(11)13-5-4-6-14(9-13)21(24)25/h4-10,16H,1-3H3