7-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one

Systemtic Name: 7-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one Openeye Name: 7-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one CAS Name: 7-[[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]oxy]-1-benzopyran-2-one IUPAC Name: 7-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one Traditional Name: 7-[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]oxycoumarin Formula: C24H18N2O3S2 MolecularWeight: 446.54132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC4=C(C=C3)C=CC(=O)O4)CSC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC4=C(C=C3)C=CC(=O)O4)CSC5=CC=CC=C5)C

InChI

InChI=1S/C24H18N2O3S2/c1-14-15(2)31-24-22(14)23(25-20(26-24)13-30-18-6-4-3-5-7-18)28-17-10-8-16-9-11-21(27)29-19(16)12-17/h3-12H,13H2,1-2H3