3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-isobutyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine IUPAC Name: 3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-isobutyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=C(C2=C(N=C1)SC3=C2CCCC3)N

Isomeric SMILES

CC(C)C[N+]1=C(C2=C(N=C1)SC3=C2CCCC3)N

InChI

InChI=1S/C14H19N3S/c1-9(2)7-17-8-16-14-12(13(17)15)10-5-3-4-6-11(10)18-14/h8-9,15H,3-7H2,1-2H3/p+1