ethyl 4-[(2-methoxyphenyl)methylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(2-methoxyphenyl)methylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(2-methoxyphenyl)methylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(2-methoxyphenyl)methylamino]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxyphenyl)methylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(o-anisylamino)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4=CC=CC=C4OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4=CC=CC=C4OC)C

InChI

InChI=1S/C25H25N3O3S2/c1-4-31-25(29)22-16(2)21-23(26-14-17-10-8-9-13-19(17)30-3)27-20(28-24(21)33-22)15-32-18-11-6-5-7-12-18/h5-13H,4,14-15H2,1-3H3,(H,26,27,28)