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

Systemtic Name: propan-2-yl 4-[(4-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-butylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-butylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-5-6-7-15-8-10-16(11-9-15)24-19-17-14(4)18(21(25)26-13(2)3)27-20(17)23-12-22-19/h8-13H,5-7H2,1-4H3,(H,22,23,24)