[5-chloranyl-2-oxidanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-indol-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [5-chloranyl-2-oxidanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-indol-3-yl]-thiophen-2-yl-methanone Openeye Name: [5-chloro-2-hydroxy-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)indol-3-yl]-(2-thienyl)methanone CAS Name: [5-chloro-2-hydroxy-1-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-indolyl]-thiophen-2-ylmethanone IUPAC Name: [5-chloro-2-hydroxy-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)indol-3-yl]-thiophen-2-ylmethanone Traditional Name: [5-chloro-2-hydroxy-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]indol-3-yl]-(2-thienyl)methanone Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)N3C4=C(C=C(C=C4)Cl)C(=C3O)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)N3C4=C(C=C(C=C4)Cl)C(=C3O)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H18ClN5O3S/c23-14-4-5-16-15(13-14)18(19(29)17-3-1-12-32-17)20(30)28(16)22(31)27-10-8-26(9-11-27)21-24-6-2-7-25-21/h1-7,12-13,30H,8-11H2