N-[1-(1-adamantyl)pyrazol-4-yl]-6-bromanyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-4-yl]-6-bromanyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-4-yl]-6-bromo-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-[1-(1-adamantyl)-4-pyrazolyl]-6-bromo-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-4-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-4-yl]-6-bromo-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C20H21BrN6O MolecularWeight: 441.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C=N4)NC(=O)C5=C6N=CC(=CN6N=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C=N4)NC(=O)C5=C6N=CC(=CN6N=C5)Br

InChI

InChI=1S/C20H21BrN6O/c21-15-7-22-18-17(9-23-26(18)10-15)19(28)25-16-8-24-27(11-16)20-4-12-1-13(5-20)3-14(2-12)6-20/h7-14H,1-6H2,(H,25,28)