1-[(3-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 1-[(3-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-(m-tolylmethyl)-3-phenethyl-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 1-[(3-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-[(3-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-(3-methylbenzyl)-3-phenethyl-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C26H22N2O2S MolecularWeight: 426.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)SC5=CC=CC=C53

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)SC5=CC=CC=C53

InChI

InChI=1S/C26H22N2O2S/c1-18-8-7-11-20(16-18)17-28-23-21-12-5-6-13-22(21)31-24(23)25(29)27(26(28)30)15-14-19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3