5,6-dimethyl-7-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-(4-methylphenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-7-(4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC[NH+]4CCOCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2N=C[N+](=C3N)CC[NH+]4CCOCC4)C)C

InChI

InChI=1S/C21H27N5O/c1-15-4-6-18(7-5-15)26-17(3)16(2)19-20(22)25(14-23-21(19)26)9-8-24-10-12-27-13-11-24/h4-7,14,22H,8-13H2,1-3H3/p+2