2-butylsulfanyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-butylsulfanyl-4-[(phenylmethyl)amino]-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-(benzylamino)-6-benzylsulfanyl-2-butylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-(butylthio)-4-[(phenylmethyl)amino]-6-(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(benzylamino)-6-benzylsulfanyl-2-butylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylamino)-6-(benzylthio)-2-(butylthio)pyrimidine-5-carboxylic acid Formula: C23H25N3O2S2 MolecularWeight: 439.5935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S2/c1-2-3-14-29-23-25-20(24-15-17-10-6-4-7-11-17)19(22(27)28)21(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,27,28)(H,24,25,26)