N-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitro-benzenesulfonamide Openeye Name: N-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitro-benzenesulfonamide CAS Name: N-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitrobenzenesulfonamide IUPAC Name: N-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitrobenzenesulfonamide Traditional Name: N-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl]-N-cyclopentyl-2-nitro-benzenesulfonamide Formula: C18H20N6O5S MolecularWeight: 432.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CNC3=C2C(=O)N=C(N3)N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N(CC2=CNC3=C2C(=O)N=C(N3)N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5S/c19-18-21-16-15(17(25)22-18)11(9-20-16)10-23(12-5-1-2-6-12)30(28,29)14-8-4-3-7-13(14)24(26)27/h3-4,7-9,12H,1-2,5-6,10H2,(H4,19,20,21,22,25)