1-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexyl-urea

Systemtic Name: 1-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexyl-urea Openeye Name: 1-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexyl-urea CAS Name: 1-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexylurea IUPAC Name: 1-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexylurea Traditional Name: 1-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-hexyl-urea Formula: C18H22ClN7O MolecularWeight: 387.86658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=C2C(=NN1)N=CN=C2NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCNC(=O)NC1=C2C(=NN1)N=CN=C2NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN7O/c1-2-3-4-5-9-20-18(27)24-17-14-15(21-11-22-16(14)25-26-17)23-13-8-6-7-12(19)10-13/h6-8,10-11H,2-5,9H2,1H3,(H4,20,21,22,23,24,25,26,27)