1-[5-[(4-azanyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-yl-urea

Systemtic Name: 1-[5-[(4-azanyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-yl-urea Openeye Name: 1-[5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea CAS Name: 1-[5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]pentyl]-1-heptyl-3-propan-2-ylurea IUPAC Name: 1-[5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-ylurea Traditional Name: 1-[5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]pentyl]-1-heptyl-3-isopropyl-urea Formula: C21H37N7OS MolecularWeight: 435.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC2=C(C=NN2)C(=N1)N)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC2=C(C=NN2)C(=N1)N)C(=O)NC(C)C

InChI

InChI=1S/C21H37N7OS/c1-4-5-6-7-9-12-28(21(29)24-16(2)3)13-10-8-11-14-30-20-25-18(22)17-15-23-27-19(17)26-20/h15-16H,4-14H2,1-3H3,(H,24,29)(H3,22,23,25,26,27)