1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea Openeye Name: 1-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-3-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)urea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea Traditional Name: 1-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]urea Formula: C21H29N7OS MolecularWeight: 427.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)NCC(C3=CC=CS3)N4CCN(CC4)C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)NCC(C3=CC=CS3)N4CCN(CC4)C

InChI

InChI=1S/C21H29N7OS/c1-15(2)28-20-16(12-24-28)11-17(13-22-20)25-21(29)23-14-18(19-5-4-10-30-19)27-8-6-26(3)7-9-27/h4-5,10-13,15,18H,6-9,14H2,1-3H3,(H2,23,25,29)