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

Systemtic Name: N-(4-nitrophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide CAS Name: N-(4-nitrophenyl)-4-(7H-purin-6-yl)-1-piperazinecarboxamide IUPAC Name: N-(4-nitrophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Traditional Name: N-(4-nitrophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Formula: C16H16N8O3 MolecularWeight: 368.35004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N8O3/c25-16(21-11-1-3-12(4-2-11)24(26)27)23-7-5-22(6-8-23)15-13-14(18-9-17-13)19-10-20-15/h1-4,9-10H,5-8H2,(H,21,25)(H,17,18,19,20)