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

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridinyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-5,6-dimethyl-7-(4-methylpyridin-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-5,6-dimethyl-7-(4-methyl-2-pyridyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCO)C)C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=C(C3=C2N=C[N+](=C3N)CCCO)C)C

InChI

InChI=1S/C17H21N5O/c1-11-5-6-19-14(9-11)22-13(3)12(2)15-16(18)21(7-4-8-23)10-20-17(15)22/h5-6,9-10,18,23H,4,7-8H2,1-3H3/p+1