4-azanyl-3-(3-imidazol-1-ylpropylamino)-6-methyl-2H-1,2,4-triazin-4-ium-5-one

Systemtic Name: 4-azanyl-3-(3-imidazol-1-ylpropylamino)-6-methyl-2H-1,2,4-triazin-4-ium-5-one Openeye Name: 4-amino-3-(3-imidazol-1-ylpropylamino)-6-methyl-2H-1,2,4-triazin-4-ium-5-one CAS Name: 4-amino-3-[3-(1-imidazolyl)propylamino]-6-methyl-2H-1,2,4-triazin-4-ium-5-one IUPAC Name: 4-amino-3-(3-imidazol-1-ylpropylamino)-6-methyl-2H-1,2,4-triazin-4-ium-5-one Traditional Name: 4-amino-3-(3-imidazol-1-ylpropylamino)-6-methyl-2H-1,2,4-triazin-4-ium-5-one Formula: C10H16N7O+ MolecularWeight: 250.28034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=[N+](C1=O)N)NCCCN2C=CN=C2

Isomeric SMILES

CC1=NNC(=[N+](C1=O)N)NCCCN2C=CN=C2

InChI

InChI=1S/C10H15N7O/c1-8-9(18)17(11)10(15-14-8)13-3-2-5-16-6-4-12-7-16/h4,6-7H,2-3,5,11H2,1H3,(H,13,15,18)/p+1