2-methylsulfanyl-3-(phenylsulfonyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

Systemtic Name: 2-methylsulfanyl-3-(phenylsulfonyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-9-(1-piperazinyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanyl-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Traditional Name: 3-besyl-2-(methylthio)-9-piperazino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=C1S(=O)(=O)C3=CC=CC=C3)N=C4CCCCC4=C2N5CCNCC5

Isomeric SMILES

CSC1=NN2C(=C1S(=O)(=O)C3=CC=CC=C3)N=C4CCCCC4=C2N5CCNCC5

InChI

InChI=1S/C21H25N5O2S2/c1-29-20-18(30(27,28)15-7-3-2-4-8-15)19-23-17-10-6-5-9-16(17)21(26(19)24-20)25-13-11-22-12-14-25/h2-4,7-8,22H,5-6,9-14H2,1H3