4-[(4-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(4-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-butylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-butylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C

InChI

InChI=1S/C18H19N3O2S/c1-3-4-5-12-6-8-13(9-7-12)21-16-14-11(2)15(18(22)23)24-17(14)20-10-19-16/h6-10H,3-5H2,1-2H3,(H,22,23)(H,19,20,21)