8-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

Systemtic Name: 8-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Openeye Name: 8-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]-7H-purine-2,6-diamine CAS Name: 8-[1-(2-nitrophenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine IUPAC Name: 8-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Traditional Name: [2-amino-8-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]-7H-purin-6-yl]amine Formula: C16H18N8O4S MolecularWeight: 418.43032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C16H18N8O4S/c17-13-12-15(22-16(18)20-13)21-14(19-12)9-5-7-23(8-6-9)29(27,28)11-4-2-1-3-10(11)24(25)26/h1-4,9H,5-8H2,(H5,17,18,19,20,21,22)