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

Systemtic Name: 7-(2-dimethylaminoethyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(2-dimethylaminoethyl)-5,6-dimethyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(2-dimethylaminoethyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(2-dimethylaminoethyl)-5,6-dimethyl-3-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: 2-[4-amino-5,6-dimethyl-3-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-7-yl]ethyl-dimethyl-amine Formula: C18H25N6+ MolecularWeight: 325.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6/c1-13-14(2)24(10-9-22(3)4)18-16(13)17(19)23(12-21-18)11-15-5-7-20-8-6-15/h5-8,12,19H,9-11H2,1-4H3/p+1