3-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C16H13BrN2O3S/c1-8-9(2)23-15-14(8)16(20)19(6-18-15)5-10-3-12-13(4-11(10)17)22-7-21-12/h3-4,6H,5,7H2,1-2H3