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

Systemtic Name: 4-[(4-butylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-butylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-butylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-butylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H20N3O2S- MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-4-5-6-13-7-9-14(10-8-13)22-17-15-11(2)16(19(23)24)25-18(15)21-12(3)20-17/h7-10H,4-6H2,1-3H3,(H,23,24)(H,20,21,22)/p-1