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

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H17ClN2O3S/c1-13-18(15-5-3-2-4-6-15)19-21(29-13)24-12-25(22(19)26)11-14-9-16(23)20-17(10-14)27-7-8-28-20/h2-6,9-10,12H,7-8,11H2,1H3