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

Systemtic Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-isobutyl-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(2-methylpropyl)-7-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(2-methylpropyl)-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-isobutyl-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C18H31N5O+2 MolecularWeight: 333.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)CC[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC(C)C)N)CC[NH+]3CCOCC3)C

InChI

InChI=1S/C18H29N5O/c1-13(2)11-22-12-20-18-16(17(22)19)14(3)15(4)23(18)6-5-21-7-9-24-10-8-21/h12-13,19H,5-11H2,1-4H3/p+2