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

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-3-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-5,6-dimethyl-3-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (7-benzyl-3-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C19H25N4+ MolecularWeight: 309.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4/c1-13(2)10-22-12-21-19-17(18(22)20)14(3)15(4)23(19)11-16-8-6-5-7-9-16/h5-9,12-13,20H,10-11H2,1-4H3/p+1