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

Systemtic Name: 5-azanyl-N-(cyanomethyl)-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-N-(cyanomethyl)-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-N-(cyanomethyl)-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-N-(cyanomethyl)-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-N-(cyanomethyl)-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)NCC#N)N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)NCC#N)N

InChI

InChI=1S/C17H15N5O2S2/c1-24-10-5-3-4-9(8-10)13-11-12(19)14(15(23)20-7-6-18)26-16(11)22-17(21-13)25-2/h3-5,8H,7,19H2,1-2H3,(H,20,23)