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

Systemtic Name: 5,6-dimethyl-3-(phenylmethyl)-7-pyridin-3-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(phenylmethyl)-7-(3-pyridinyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-benzyl-5,6-dimethyl-7-(3-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C20H20N5+ MolecularWeight: 330.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)C4=CN=CC=C4)C

InChI

InChI=1S/C20H19N5/c1-14-15(2)25(17-9-6-10-22-11-17)20-18(14)19(21)24(13-23-20)12-16-7-4-3-5-8-16/h3-11,13,21H,12H2,1-2H3/p+1