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

Systemtic Name: 3-(3-methylbutyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopentyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isoamyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2OS/c1-12(2)8-9-20-11-19-17-16(18(20)21)15(10-22-17)14-6-4-13(3)5-7-14/h4-7,10-12H,8-9H2,1-3H3