2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N2O3S/c1-21(2,3)12-5-6-13-16(9-12)27-20-17(13)19(24)22-18(23-20)11-4-7-14-15(8-11)26-10-25-14/h4,7-8,12,18,23H,5-6,9-10H2,1-3H3,(H,22,24)