3-[(4-chlorophenyl)methyl]-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-[(4-chlorophenyl)methyl]-1-phenethyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-phenethyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-(4-chlorobenzyl)-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C27H21ClN2O2S MolecularWeight: 472.98584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=CS3)C4=CC=CC=C4)C(=O)N(C2=O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=CS3)C4=CC=CC=C4)C(=O)N(C2=O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN2O2S/c28-22-13-11-20(12-14-22)17-30-25(31)24-23(21-9-5-2-6-10-21)18-33-26(24)29(27(30)32)16-15-19-7-3-1-4-8-19/h1-14,18H,15-17H2