4-ethyl-1-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 4-ethyl-1-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-ethyl-1-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-ethyl-1-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-ethyl-1-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-ethyl-1-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C22H25N7O3S2 MolecularWeight: 499.609

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CSC4=NC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CSC4=NC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C22H25N7O3S2/c1-3-28-21(30)17-6-4-5-7-18(17)29-19(24-25-22(28)29)15-33-20-9-8-16(14-23-20)34(31,32)27-12-10-26(2)11-13-27/h4-9,14H,3,10-13,15H2,1-2H3