3-(1-methylindol-3-yl)-4-[1-(3-pyrimidin-2-ylsulfanylpropyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1-methylindol-3-yl)-4-[1-(3-pyrimidin-2-ylsulfanylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1-methylindol-3-yl)-4-[1-(3-pyrimidin-2-ylsulfanylpropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1-methyl-3-indolyl)-4-[1-[3-(2-pyrimidinylthio)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1-methylindol-3-yl)-4-[1-(3-pyrimidin-2-ylsulfanylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1-methylindol-3-yl)-4-[1-[3-(2-pyrimidylthio)propyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC6=NC=CC=N6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC6=NC=CC=N6

InChI

InChI=1S/C28H23N5O2S/c1-32-16-20(18-8-2-4-10-22(18)32)24-25(27(35)31-26(24)34)21-17-33(23-11-5-3-9-19(21)23)14-7-15-36-28-29-12-6-13-30-28/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,31,34,35)