N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-3,4-difluorobenzamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-3,4-difluoro-benzamide Formula: C18H16F2N8O MolecularWeight: 398.369446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)F)F)N)N=C1N4C=CC=N4

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)F)F)N)N=C1N4C=CC=N4

InChI

InChI=1S/C18H16F2N8O/c1-2-7-27-15-13(23-18(27)28-8-3-6-22-28)14(21)24-17(25-15)26-16(29)10-4-5-11(19)12(20)9-10/h3-6,8-9H,2,7H2,1H3,(H3,21,24,25,26,29)