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

Systemtic Name: 5,6-bis(azanyl)-3-tert-butyl-8-[methyl(propan-2-yl)amino]-2-oxidanylidene-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Openeye Name: 5,6-diamino-3-tert-butyl-8-[isopropyl(methyl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile CAS Name: 5,6-diamino-3-tert-butyl-8-[methyl(propan-2-yl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile IUPAC Name: 5,6-diamino-3-tert-butyl-8-[methyl(propan-2-yl)amino]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Traditional Name: 5,6-diamino-3-tert-butyl-8-[isopropyl(methyl)amino]-2-keto-1H-pyrrolo[2,3-c][2,7]naphthyridin-7-ium-9-carbonitrile Formula: C19H26N7O+ MolecularWeight: 368.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C1=[NH+]C(=C2C(=C1C#N)C3=C(N=C2N)N(C(=O)C3)C(C)(C)C)N

Isomeric SMILES

CC(C)N(C)C1=[NH+]C(=C2C(=C1C#N)C3=C(N=C2N)N(C(=O)C3)C(C)(C)C)N

InChI

InChI=1S/C19H25N7O/c1-9(2)25(6)17-11(8-20)13-10-7-12(27)26(19(3,4)5)18(10)24-16(22)14(13)15(21)23-17/h9H,7H2,1-6H3,(H2,21,23)(H2,22,24)/p+1