2-[(4-tert-butylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O2S/c1-21(2,3)13-8-10-14(11-9-13)26-12-17-22-18-15-6-4-5-7-16(15)25-19(18)20(24)23-17/h4-11H,12H2,1-3H3,(H,22,23,24)