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

Systemtic Name: 3-[4-azanyl-7-(2-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-7-(2-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-7-(2-methoxyphenyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-7-(2-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-7-(2-methoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCO)N)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCO)N)C3=CC=CC=C3OC)C

InChI

InChI=1S/C18H22N4O2/c1-12-13(2)22(14-7-4-5-8-15(14)24-3)18-16(12)17(19)21(11-20-18)9-6-10-23/h4-5,7-8,11,19,23H,6,9-10H2,1-3H3/p+1