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

Systemtic Name: 3-cyclohexyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-cyclohexyl-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-cyclohexyl-5,6-dimethyl-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-cyclohexyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-cyclohexyl-5,6-dimethyl-7-(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)C3CCCCC3)N)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)C3CCCCC3)N)CC4=CN=CC=C4)C

InChI

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