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

Systemtic Name: (diphenylmethyl) 6-azanyl-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-7H-purine-6-carboxylate Openeye Name: benzhydryl 6-amino-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-7H-purine-6-carboxylate CAS Name: 6-amino-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]-7H-purine-6-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 6-amino-1-[2-[4-(2-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-7H-purine-6-carboxylate Traditional Name: 6-amino-1-[2-keto-2-[3-keto-4-(2-nitrophenyl)sulfonyl-piperazino]ethyl]-7H-purine-6-carboxylic acid benzhydryl ester Formula: C31H28N8O8S MolecularWeight: 672.66782

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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=CC=CC=C6[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=CC=CC=C6[N+](=O)[O-]

InChI

InChI=1S/C31H28N8O8S/c32-31(30(42)47-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22)28-29(34-19-33-28)35-20-37(31)18-25(40)36-15-16-38(26(41)17-36)48(45,46)24-14-8-7-13-23(24)39(43)44/h1-14,19-20,27H,15-18,32H2,(H,33,34)