2-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC(=C(C(=C3)Br)OCC#C)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC(=C(C(=C3)Br)OCC#C)OC)C

InChI

InChI=1S/C18H15BrN2O3S/c1-5-6-24-15-12(19)7-11(8-13(15)23-4)16-20-17(22)14-9(2)10(3)25-18(14)21-16/h1,7-8H,6H2,2-4H3,(H,20,21,22)