(diphenylmethyl) 6-azanyl-1-[2-[4-(4-chloranyl-2-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-7H-purine-6-carboxylate

Systemtic Name: (diphenylmethyl) 6-azanyl-1-[2-[4-(4-chloranyl-2-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-7H-purine-6-carboxylate Openeye Name: benzhydryl 6-amino-1-[2-[4-(4-chloro-2-nitro-phenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-7H-purine-6-carboxylate CAS Name: 6-amino-1-[2-[4-(4-chloro-2-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]-7H-purine-6-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 6-amino-1-[2-[4-(4-chloro-2-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-7H-purine-6-carboxylate Traditional Name: 6-amino-1-[2-[4-(4-chloro-2-nitro-phenyl)sulfonyl-3-keto-piperazino]-2-keto-ethyl]-7H-purine-6-carboxylic acid benzhydryl ester Formula: C31H27ClN8O8S MolecularWeight: 707.11288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)CN2C=NC3=C(C2(C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)N)NC=N3)S(=O)(=O)C6=C(C=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)CN1C(=O)CN2C=NC3=C(C2(C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)N)NC=N3)S(=O)(=O)C6=C(C=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C31H27ClN8O8S/c32-22-11-12-24(23(15-22)40(44)45)49(46,47)39-14-13-37(16-26(39)42)25(41)17-38-19-36-29-28(34-18-35-29)31(38,33)30(43)48-27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,18-19,27H,13-14,16-17,33H2,(H,34,35)