5-(cyanomethyl)-4-oxidanylidene-N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 5-(cyanomethyl)-4-oxidanylidene-N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide Openeye Name: 5-(cyanomethyl)-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide CAS Name: 5-(cyanomethyl)-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide IUPAC Name: 5-(cyanomethyl)-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide Traditional Name: 5-(cyanomethyl)-4-keto-N-[(3-keto-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=NC4=C(C(=CS4)CC#N)C(=O)N3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=NC4=C(C(=CS4)CC#N)C(=O)N3

InChI

InChI=1S/C18H13N5O4S/c19-4-3-10-8-28-18-14(10)16(25)22-15(23-18)17(26)20-6-9-1-2-12-11(5-9)21-13(24)7-27-12/h1-2,5,8H,3,6-7H2,(H,20,26)(H,21,24)(H,22,23,25)