3-butyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-butyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-butyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-butyl-7-(4-methoxyphenyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-butyl-7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-butyl-7-(4-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C19H25N4O+ MolecularWeight: 325.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=CC=C(C=C3)OC)N

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=CC=C(C=C3)OC)N

InChI

InChI=1S/C19H24N4O/c1-5-6-11-22-12-21-19-17(18(22)20)13(2)14(3)23(19)15-7-9-16(24-4)10-8-15/h7-10,12,20H,5-6,11H2,1-4H3/p+1