5-(4-chloranyl-3-methyl-phenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-5-(4-chloro-3-methyl-phenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chloro-3-methylphenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzyl-5-(4-chloro-3-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-5-(4-chloro-3-methyl-phenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C21H17ClN2OS/c1-12-10-15(8-9-16(12)22)18-13(2)26-21-19(18)20(25)23-17(24-21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,24,25)