7-cyclohexyl-5,6-dimethyl-3-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 7-cyclohexyl-5,6-dimethyl-3-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-cyclohexyl-5,6-dimethyl-3-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-cyclohexyl-5,6-dimethyl-3-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-cyclohexyl-5,6-dimethyl-3-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-cyclohexyl-5,6-dimethyl-3-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)C4CCCCC4)C

InChI

InChI=1S/C20H25N5/c1-14-15(2)25(17-8-4-3-5-9-17)20-18(14)19(21)24(13-23-20)12-16-7-6-10-22-11-16/h6-7,10-11,13,17,21H,3-5,8-9,12H2,1-2H3/p+1