5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chloro-3-methyl-phenyl)-6-ethyl-2-(1-naphthylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chloro-3-methylphenyl)-6-ethyl-2-(1-naphthalenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chloro-3-methylphenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chloro-3-methyl-phenyl)-6-ethyl-2-(1-naphthylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H21ClN2OS MolecularWeight: 444.97574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC4=CC=CC=C43)C5=CC(=C(C=C5)Cl)C

InChI

InChI=1S/C26H21ClN2OS/c1-3-21-23(18-11-12-20(27)15(2)13-18)24-25(30)28-22(29-26(24)31-21)14-17-9-6-8-16-7-4-5-10-19(16)17/h4-13H,3,14H2,1-2H3,(H,28,29,30)