2-chloranyl-5-methyl-6-piperazin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine

Systemtic Name: 2-chloranyl-5-methyl-6-piperazin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine Openeye Name: 2-chloro-5-methyl-6-piperazin-1-yl-6-thioxo-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine CAS Name: 2-chloro-5-methyl-6-(1-piperazinyl)-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphorine IUPAC Name: 2-chloro-5-methyl-6-piperazin-1-yl-6-sulfanylidene-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphinine Traditional Name: 2-chloro-5-methyl-6-piperazino-6-thioxo-9,13b-dihydro-8H-isoquinolino[2,1-c][1,3,2]benzodiazaphosphorine Formula: C20H24ClN4PS MolecularWeight: 418.923121

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C3C4=CC=CC=C4CCN3P1(=S)N5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C3C4=CC=CC=C4CCN3P1(=S)N5CCNCC5

InChI

InChI=1S/C20H24ClN4PS/c1-23-19-7-6-16(21)14-18(19)20-17-5-3-2-4-15(17)8-11-25(20)26(23,27)24-12-9-22-10-13-24/h2-7,14,20,22H,8-13H2,1H3