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

Systemtic Name: ethyl 4-[(3-cyanophenyl)methyl-methyl-amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(3-cyanophenyl)methyl-methyl-amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(3-cyanophenyl)methyl-methylamino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)methyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(3-cyanobenzyl)-methyl-amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N(C)CC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N(C)CC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C20H20N4O2S/c1-5-26-20(25)17-12(2)16-18(22-13(3)23-19(16)27-17)24(4)11-15-8-6-7-14(9-15)10-21/h6-9H,5,11H2,1-4H3