5-(3,4-dimethylphenyl)-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-acetonyl-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-(2-oxopropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-acetonyl-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)C)C

InChI

InChI=1S/C17H16N2O2S/c1-10-4-5-13(6-11(10)2)14-8-22-16-15(14)17(21)19(9-18-16)7-12(3)20/h4-6,8-9H,7H2,1-3H3