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

Systemtic Name: 2-azanyl-5-[[[azanyl(ethylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-amino-5-[[[amino(ethylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 2-amino-5-[[[amino-(ethylthio)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-amino-5-[[[amino(ethylsulfanyl)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-amino-5-[[[amino-(ethylthio)methyl]amino]methyl]-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C10H15N7O3S MolecularWeight: 313.3362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(N)NCC1=CC(=O)N2C(=N1)C(=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CCSC(N)NCC1=CC(=O)N2C(=N1)C(=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H15N7O3S/c1-2-21-10(12)13-4-5-3-6(18)16-9(14-5)7(17(19)20)8(11)15-16/h3,10,13,15H,2,4,11-12H2,1H3