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

Systemtic Name: 3-[4-azanyl-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCCO)N)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCCO)N)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C18H19N5OS/c1-11-12(2)23(18-21-13-6-3-4-7-14(13)25-18)17-15(11)16(19)22(10-20-17)8-5-9-24/h3-4,6-7,10,19,24H,5,8-9H2,1-2H3/p+1