4,6-dimethyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

Systemtic Name: 4,6-dimethyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one Openeye Name: 4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]isothiazolo[5,4-b]pyridin-3-one CAS Name: 4,6-dimethyl-1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-isothiazolo[5,4-b]pyridinone IUPAC Name: 4,6-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-[1,2]thiazolo[5,4-b]pyridin-3-one Traditional Name: 1,1-diketo-4,6-dimethyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]isothiazolo[5,4-b]pyridin-3-one Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H26N6O3S/c1-15-14-16(2)23-18-17(15)19(27)26(30(18,28)29)9-4-3-8-24-10-12-25(13-11-24)20-21-6-5-7-22-20/h5-7,14H,3-4,8-13H2,1-2H3