4-azanylidene-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine

Systemtic Name: 4-azanylidene-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Openeye Name: 4-imino-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine CAS Name: 4-imino-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine IUPAC Name: 4-imino-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-amine Traditional Name: [4-imino-5-(4-methoxyphenyl)-7-phenyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-3-yl]amine Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[N+](=C3C2C(=N)N(C=N3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[N+](=C3C2C(=N)N(C=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C19H18N5O/c1-25-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)24(21)12-22-19/h2-12,17,20H,21H2,1H3/q+1