4-[(4-chloranyl-3-nitro-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-chloro-3-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-3-nitroanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-chloro-3-nitroanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-3-nitro-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H10ClN4O4S- MolecularWeight: 377.7823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C)C(=O)[O-]

InChI

InChI=1S/C15H11ClN4O4S/c1-6-11-13(17-7(2)18-14(11)25-12(6)15(21)22)19-8-3-4-9(16)10(5-8)20(23)24/h3-5H,1-2H3,(H,21,22)(H,17,18,19)/p-1