3-chloranyl-1-(2-iodanylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(2-iodanylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(2-iodophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2-iodophenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(2-iodophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-1-(2-iodophenyl)-4-[4-(2-pyrimidyl)piperazino]-3-pyrroline-2,5-quinone Formula: C18H15ClIN5O2 MolecularWeight: 495.70147

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3I)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3I)Cl)C4=NC=CC=N4

InChI

InChI=1S/C18H15ClIN5O2/c19-14-15(17(27)25(16(14)26)13-5-2-1-4-12(13)20)23-8-10-24(11-9-23)18-21-6-3-7-22-18/h1-7H,8-11H2