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

Systemtic Name: 2-[4-azanyl-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Openeye Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol CAS Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethanol IUPAC Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Traditional Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethanol Formula: C17H18N5OS+ MolecularWeight: 340.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS/c1-10-11(2)22(17-20-12-5-3-4-6-13(12)24-17)16-14(10)15(18)21(7-8-23)9-19-16/h3-6,9,18,23H,7-8H2,1-2H3/p+1