3-(3-methylbutyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylbutyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopentyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isoamyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C=NC2=C(C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2OS/c1-12(2)8-9-19-11-18-16-15(17(19)20)14(10-21-16)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3