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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(1,3-benzothiazol-2-yl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(1,3-benzothiazol-2-yl)-3-butyl-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(1,3-benzothiazol-2-yl)-3-butyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(1,3-benzothiazol-2-yl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C19H22N5S+ MolecularWeight: 352.47648

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CCCC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H21N5S/c1-4-5-10-23-11-21-18-16(17(23)20)12(2)13(3)24(18)19-22-14-8-6-7-9-15(14)25-19/h6-9,11,20H,4-5,10H2,1-3H3/p+1