5-azanyl-6-(4-methylphenyl)carbonyl-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 5-azanyl-6-(4-methylphenyl)carbonyl-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-amino-6-(4-methylbenzoyl)-1-phenethyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-amino-6-[(4-methylphenyl)-oxomethyl]-1-phenethylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-amino-6-(4-methylbenzoyl)-1-phenethylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-amino-1-phenethyl-6-p-toluoyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N(C(=O)NC3=O)CCC4=CC=CC=C4)N

InChI

InChI=1S/C22H19N3O3S/c1-13-7-9-15(10-8-13)18(26)19-17(23)16-20(27)24-22(28)25(21(16)29-19)12-11-14-5-3-2-4-6-14/h2-10H,11-12,23H2,1H3,(H,24,27,28)