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

Systemtic Name: 7-(methylsulfonylamino)-N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Openeye Name: 7-(methanesulfonamido)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide CAS Name: 7-(methanesulfonamido)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide IUPAC Name: 7-(methanesulfonamido)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Traditional Name: N-[(3-keto-4H-1,4-benzoxazin-6-yl)methyl]-7-(methanesulfonamido)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Formula: C17H16N6O5S MolecularWeight: 416.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CNC2=C1N=CN=C2C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CS(=O)(=O)NC1=CNC2=C1N=CN=C2C(=O)NCC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C17H16N6O5S/c1-29(26,27)23-11-6-18-15-14(11)20-8-21-16(15)17(25)19-5-9-2-3-12-10(4-9)22-13(24)7-28-12/h2-4,6,8,18,23H,5,7H2,1H3,(H,19,25)(H,22,24)