3-cyclohexyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-cyclohexyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-cyclohexyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-cyclohexyl-5,6-dimethyl-7-phenyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-cyclohexyl-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-cyclohexyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)C3CCCCC3)N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)C3CCCCC3)N)C4=CC=CC=C4)C

InChI

InChI=1S/C20H24N4/c1-14-15(2)24(17-11-7-4-8-12-17)20-18(14)19(21)23(13-22-20)16-9-5-3-6-10-16/h4,7-8,11-13,16,21H,3,5-6,9-10H2,1-2H3/p+1