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

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-chloro-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-3-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-chloro-3-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-3-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C14H8ClN4O4S- MolecularWeight: 363.75572

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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(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4O4S/c1-6-10-12(16-5-17-13(10)24-11(6)14(20)21)18-7-2-3-8(15)9(4-7)19(22)23/h2-5H,1H3,(H,20,21)(H,16,17,18)/p-1