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

Systemtic Name: 3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(cyclododecylamino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(cyclododecylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(cyclododecylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C29H38N4O2S MolecularWeight: 506.70262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4CCCCCCCCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4CCCCCCCCCCC4)C

InChI

InChI=1S/C29H38N4O2S/c1-21-19-22(2)31-29(30-21)36-26-25(27(34)33(28(26)35)20-23-15-11-10-12-16-23)32-24-17-13-8-6-4-3-5-7-9-14-18-24/h10-12,15-16,19,24,32H,3-9,13-14,17-18,20H2,1-2H3