3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC4=C(C(=C3)Cl)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC4=C(C(=C3)Cl)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H15ClN2O3S/c1-12-17-20(28-19(12)14-5-3-2-4-6-14)23-10-24(21(17)25)9-13-7-15(22)18-16(8-13)26-11-27-18/h2-8,10H,9,11H2,1H3