4,6-bis(azanyl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 4,6-diamino-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 4,6-diamino-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile IUPAC Name: 4,6-diamino-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 4,6-diamino-2-keto-1-p-anisyl-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C16H16N5O2+ MolecularWeight: 310.33054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)CC3=C2[NH+]=C(C(=C3N)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)CC3=C2[NH+]=C(C(=C3N)C#N)N

InChI

InChI=1S/C16H15N5O2/c1-23-10-4-2-9(3-5-10)8-21-13(22)6-11-14(18)12(7-17)15(19)20-16(11)21/h2-5H,6,8H2,1H3,(H4,18,19,20)/p+1