5-(4-methylphenyl)-3-(3-oxidanylpropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-3-(3-oxidanylpropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(3-hydroxypropyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-hydroxypropyl)-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-hydroxypropyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-hydroxypropyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-11-3-5-12(6-4-11)13-9-21-15-14(13)16(20)18(10-17-15)7-2-8-19/h3-6,9-10,19H,2,7-8H2,1H3