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

Systemtic Name: 2-[4-azanyl-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[4-amino-7-(1,3-benzothiazol-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C19H24N6S+2 MolecularWeight: 368.49906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6S/c1-12-13(2)25(19-22-14-7-5-6-8-15(14)26-19)18-16(12)17(20)24(11-21-18)10-9-23(3)4/h5-8,11,20H,9-10H2,1-4H3/p+2