2-cyclopropyl-4,5-dimethyl-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-cyclopropyl-4,5-dimethyl-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-cyclopropyl-4,5-dimethyl-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-cyclopropyl-4,5-dimethyl-N-[3-(phenylthio)propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-cyclopropyl-4,5-dimethyl-N-(3-phenylsulfanylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-cyclopropyl-4,5-dimethyl-N-[3-(phenylthio)propyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c1-13-17-14(2)23-19(15-9-10-15)24-21(17)27-18(13)20(25)22-11-6-12-26-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-12H2,1-2H3,(H,22,25)