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

Systemtic Name: 1-methyl-3-(3-methylbutyl)-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-isopentyl-1-methyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-methyl-3-(3-methylbutyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(3-methylbutyl)-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-isoamyl-1-methyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N(C1=O)C)SC=C2C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N(C1=O)C)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S/c1-12(2)9-10-20-16(21)15-14(13-7-5-4-6-8-13)11-23-17(15)19(3)18(20)22/h4-8,11-12H,9-10H2,1-3H3