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

Systemtic Name: 2-methoxyethyl 4-[(4-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-5-6-15-7-9-16(10-8-15)24-19-17-14(2)18(21(25)27-12-11-26-3)28-20(17)23-13-22-19/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23,24)