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

Systemtic Name: 2-methylpropyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-chloro-4-nitroanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-chloro-4-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-9(2)7-27-18(24)15-10(3)14-16(20-8-21-17(14)28-15)22-13-5-4-11(23(25)26)6-12(13)19/h4-6,8-9H,7H2,1-3H3,(H,20,21,22)