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

Systemtic Name: phenethyl 4-[(3-cyanophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3-cyanoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-cyanoanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-cyanoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-cyanoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C#N)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=CC(=C3)C#N)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2S/c1-15-19-21(27-18-9-5-8-17(12-18)13-24)25-14-26-22(19)30-20(15)23(28)29-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11H2,1H3,(H,25,26,27)