2-methylsulfanyl-7-[(3-phenylmethoxyphenyl)methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-7-[(3-phenylmethoxyphenyl)methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[(3-benzyloxyphenyl)methyl]-2-methylsulfanyl-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-(methylthio)-7-[(3-phenylmethoxyphenyl)methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-methylsulfanyl-7-[(3-phenylmethoxyphenyl)methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-(3-benzoxybenzyl)-2-(methylthio)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)C(=CN2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)C(=CN2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c1-27-21-23-18-16(12-22-19(18)20(25)24-21)10-15-8-5-9-17(11-15)26-13-14-6-3-2-4-7-14/h2-9,11-12,22H,10,13H2,1H3,(H,23,24,25)