3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(homoveratrylamino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C28H30N4O4S MolecularWeight: 518.6272

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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)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H30N4O4S/c1-18-16-19(2)31-28(30-18)37-25-24(29-14-12-21-10-11-22(35-3)23(17-21)36-4)26(33)32(27(25)34)15-13-20-8-6-5-7-9-20/h5-11,16-17,29H,12-15H2,1-4H3