(7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: (7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: (7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: (7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: (7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: (7S)-7-tert-butyl-2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CNCCC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CNCCC4=CC=C(C=C4)O

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)15-6-9-17-18(12-15)29-22-20(17)21(28)25-19(26-22)13-24-11-10-14-4-7-16(27)8-5-14/h4-5,7-8,15,24,27H,6,9-13H2,1-3H3,(H,25,26,28)/t15-/m0/s1