5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-N-benzyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-(3-methoxyphenyl)-2-(methylthio)-N-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-N-benzyl-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-N-benzyl-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)NCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)NCC4=CC=CC=C4)N

InChI

InChI=1S/C22H20N4O2S2/c1-28-15-10-6-9-14(11-15)18-16-17(23)19(30-21(16)26-22(25-18)29-2)20(27)24-12-13-7-4-3-5-8-13/h3-11H,12,23H2,1-2H3,(H,24,27)