2-azanyl-5-[[[azanyl-(phenylmethylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-azanyl-5-[[[azanyl-(phenylmethylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-amino-5-[[[amino(benzylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-amino-5-[[[amino-(phenylmethylthio)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-amino-5-[[[amino(benzylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-amino-5-[[[amino-(benzylthio)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C15H17N7O3S MolecularWeight: 375.40558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(N)NCC2=CC(=O)N3C(=N2)C(=C(N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC(N)NCC2=CC(=O)N3C(=N2)C(=C(N3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N7O3S/c16-13-12(22(24)25)14-19-10(6-11(23)21(14)20-13)7-18-15(17)26-8-9-4-2-1-3-5-9/h1-6,15,18,20H,7-8,16-17H2