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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCCO)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=NC=C3)N)CCCO)C

InChI

InChI=1S/C17H21N5O/c1-12-13(2)22(8-3-9-23)17-15(12)16(18)21(11-20-17)10-14-4-6-19-7-5-14/h4-7,11,18,23H,3,8-10H2,1-2H3/p+1