3-azanyl-7-tert-butyl-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 3-azanyl-7-tert-butyl-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-4aH-benzothiopheno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 3-amino-7-tert-butyl-5,6,7,8-tetrahydro-4aH-benzothiopheno[2,3-d]pyrimidin-3-ium-4-one Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=NC=[N+](C(=O)C23)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=NC=[N+](C(=O)C23)N

InChI

InChI=1S/C14H20N3OS/c1-14(2,3)8-4-5-9-10(6-8)19-12-11(9)13(18)17(15)7-16-12/h7-8,11H,4-6,15H2,1-3H3/q+1