N-[4-[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-[[3-bromo-5-(2-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]butyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-9H-xanthene-9-carboxamide Formula: C30H25BrClN5O2 MolecularWeight: 602.9088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCCCNC4=CC(=NC5=C(C=NN45)Br)C6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCCCCNC4=CC(=NC5=C(C=NN45)Br)C6=CC=CC=C6Cl

InChI

InChI=1S/C30H25BrClN5O2/c31-22-18-35-37-27(17-24(36-29(22)37)19-9-1-4-12-23(19)32)33-15-7-8-16-34-30(38)28-20-10-2-5-13-25(20)39-26-14-6-3-11-21(26)28/h1-6,9-14,17-18,28,33H,7-8,15-16H2,(H,34,38)