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

Systemtic Name: 3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(cyclododecylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(cyclododecylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C30H40N4O2S MolecularWeight: 520.7292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4CCCCCCCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4CCCCCCCCCCC4)C

InChI

InChI=1S/C30H40N4O2S/c1-22-21-23(2)32-30(31-22)37-27-26(33-25-17-13-8-6-4-3-5-7-9-14-18-25)28(35)34(29(27)36)20-19-24-15-11-10-12-16-24/h10-12,15-16,21,25,33H,3-9,13-14,17-20H2,1-2H3