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

Systemtic Name: 3-butyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N2OS/c1-3-4-9-19-11-18-16-15(17(19)20)14(10-21-16)13-7-5-12(2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3