4-(2-azanyl-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7H-purin-6-yl)-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7H-purin-6-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C16H17N9O3 MolecularWeight: 383.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=C2NC=N3)N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N9O3/c17-15-21-13-12(18-9-19-13)14(22-15)23-5-7-24(8-6-23)16(26)20-10-1-3-11(4-2-10)25(27)28/h1-4,9H,5-8H2,(H,20,26)(H3,17,18,19,21,22)