1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea

Systemtic Name: 1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea Openeye Name: 1-heptyl-3-isopropyl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea CAS Name: 1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)pentyl]urea IUPAC Name: 1-heptyl-3-propan-2-yl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]urea Traditional Name: 1-heptyl-3-isopropyl-1-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)pentyl]urea Formula: C21H36N6OS MolecularWeight: 420.61514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC=NC2=C1C=NN2)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC=NC2=C1C=NN2)C(=O)NC(C)C

InChI

InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)25-17(2)3)13-10-8-11-14-29-20-18-15-24-26-19(18)22-16-23-20/h15-17H,4-14H2,1-3H3,(H,25,28)(H,22,23,24,26)