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

Systemtic Name: 3-[4-azanyl-5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-5,6-dimethyl-7-(4-methylphenyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-5,6-dimethyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C18H23N4O+ MolecularWeight: 311.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-12-5-7-15(8-6-12)22-14(3)13(2)16-17(19)21(9-4-10-23)11-20-18(16)22/h5-8,11,19,23H,4,9-10H2,1-3H3/p+1