5,6-bis(azanyl)-8-(4-ethanoylpiperazin-1-yl)-3-methyl-2-oxidanylidene-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile

Systemtic Name: 5,6-bis(azanyl)-8-(4-ethanoylpiperazin-1-yl)-3-methyl-2-oxidanylidene-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Openeye Name: 8-(4-acetylpiperazin-1-yl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile CAS Name: 8-(4-acetyl-1-piperazinyl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile IUPAC Name: 8-(4-acetylpiperazin-1-yl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Traditional Name: 8-(4-acetylpiperazino)-5,6-diamino-2-keto-3-methyl-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Formula: C18H21N8O2+ MolecularWeight: 381.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=[NH+]C(=C3C(=C2C#N)C4=C(N=C3N)N(C(=O)C4)C)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=[NH+]C(=C3C(=C2C#N)C4=C(N=C3N)N(C(=O)C4)C)N

InChI

InChI=1S/C18H20N8O2/c1-9(27)25-3-5-26(6-4-25)18-11(8-19)13-10-7-12(28)24(2)17(10)22-15(20)14(13)16(21)23-18/h3-7H2,1-2H3,(H2,20,22)(H2,21,23)/p+1