3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(cycloheptylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(cycloheptylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(cycloheptylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4CCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4CCCCCC4)C

InChI

InChI=1S/C25H30N4O2S/c1-17-16-18(2)27-25(26-17)32-22-21(28-20-12-8-3-4-9-13-20)23(30)29(24(22)31)15-14-19-10-6-5-7-11-19/h5-7,10-11,16,20,28H,3-4,8-9,12-15H2,1-2H3