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

Systemtic Name: ethyl 5-methyl-2-(phenylmethyl)-4-[(phenylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-4-(benzylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(phenylmethyl)-4-[(phenylmethyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(benzylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-4-(benzylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O2S/c1-3-29-24(28)21-16(2)20-22(25-15-18-12-8-5-9-13-18)26-19(27-23(20)30-21)14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3,(H,25,26,27)