2-azanyl-5-[[12-[(2-azanyl-3-nitro-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-azanyl-5-[[12-[(2-azanyl-3-nitro-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-amino-5-[[12-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-amino-5-[[12-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-amino-5-[[12-[(2-amino-3-nitro-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-amino-5-[[12-[(2-amino-7-keto-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C26H36N14O6+2 MolecularWeight: 640.65424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC3=CC(=O)N4C(=N3)C(=C(N4)N)[N+](=O)[O-])CC[N+]5(CCN(CC5)CC6=CC(=O)N7C(=N6)C(=C(N7)N)[N+](=O)[O-])CC2

Isomeric SMILES

C1C[N+]2(CCN1CC3=CC(=O)N4C(=N3)C(=C(N4)N)[N+](=O)[O-])CC[N+]5(CCN(CC5)CC6=CC(=O)N7C(=N6)C(=C(N7)N)[N+](=O)[O-])CC2

InChI

InChI=1S/C26H34N14O6/c27-23-21(37(43)44)25-29-17(13-19(41)35(25)31-23)15-33-1-5-39(6-2-33)9-11-40(12-10-39)7-3-34(4-8-40)16-18-14-20(42)36-26(30-18)22(38(45)46)24(28)32-36/h13-14H,1-12,15-16H2,(H4-2,27,28,29,30,31,32,41,42)/p+2