4-oxidanylidene-N2,N5-bis[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide

Systemtic Name: 4-oxidanylidene-N2,N5-bis[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide Openeye Name: 4-oxo-N2,N5-bis[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide CAS Name: 4-oxo-N2,N5-bis[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide IUPAC Name: 4-oxo-2-N,5-N-bis[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide Traditional Name: 4-keto-N,N'-bis[(3-keto-4H-1,4-benzoxazin-6-yl)methyl]-1H-thieno[3,4-d]pyrimidine-2,5-dicarboxamide Formula: C26H20N6O7S MolecularWeight: 560.538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=C4C(=CS3)NC(=NC4=O)C(=O)NCC5=CC6=C(C=C5)OCC(=O)N6

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=C4C(=CS3)NC(=NC4=O)C(=O)NCC5=CC6=C(C=C5)OCC(=O)N6

InChI

InChI=1S/C26H20N6O7S/c33-19-9-38-17-3-1-12(5-14(17)29-19)7-27-25(36)22-21-16(11-40-22)31-23(32-24(21)35)26(37)28-8-13-2-4-18-15(6-13)30-20(34)10-39-18/h1-6,11H,7-10H2,(H,27,36)(H,28,37)(H,29,33)(H,30,34)(H,31,32,35)