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

Systemtic Name: 4,6-bis(azanyl)-1-(4-tert-butylphenyl)-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 4,6-diamino-1-(4-tert-butylphenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 4,6-diamino-1-(4-tert-butylphenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile IUPAC Name: 4,6-diamino-1-(4-tert-butylphenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 4,6-diamino-1-(4-tert-butylphenyl)-2-keto-3H-pyrrolo[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC3=C2[NH+]=C(C(=C3N)C#N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)CC3=C2[NH+]=C(C(=C3N)C#N)N

InChI

InChI=1S/C18H19N5O/c1-18(2,3)10-4-6-11(7-5-10)23-14(24)8-12-15(20)13(9-19)16(21)22-17(12)23/h4-7H,8H2,1-3H3,(H4,20,21,22)/p+1