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

Systemtic Name: 5,6-dimethyl-7-phenyl-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-phenyl-3-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-benzyl-5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C21H21N4+ MolecularWeight: 329.41824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4/c1-15-16(2)25(18-11-7-4-8-12-18)21-19(15)20(22)24(14-23-21)13-17-9-5-3-6-10-17/h3-12,14,22H,13H2,1-2H3/p+1