3-[4-azanyl-5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-(4-amino-7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propan-1-ol CAS Name: 3-[4-amino-5,6-dimethyl-7-(2-methylpropyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-5,6-dimethyl-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-(4-amino-7-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)propan-1-ol Formula: C15H25N4O+ MolecularWeight: 277.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O/c1-10(2)8-19-12(4)11(3)13-14(16)18(6-5-7-20)9-17-15(13)19/h9-10,16,20H,5-8H2,1-4H3/p+1