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

Systemtic Name: 3-cycloheptyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-cycloheptyl-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-cycloheptyl-5,6-dimethyl-7-(3-pyridinylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-cycloheptyl-5,6-dimethyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-cycloheptyl-5,6-dimethyl-7-(3-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)C3CCCCCC3)N)CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)C3CCCCCC3)N)CC4=CN=CC=C4)C

InChI

InChI=1S/C21H27N5/c1-15-16(2)25(13-17-8-7-11-23-12-17)21-19(15)20(22)26(14-24-21)18-9-5-3-4-6-10-18/h7-8,11-12,14,18,22H,3-6,9-10,13H2,1-2H3/p+1