3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-one

Systemtic Name: 3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-one Openeye Name: 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutanone CAS Name: 3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-cyclobutanone IUPAC Name: 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-one Traditional Name: 3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutanone Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1=O)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1C(CC1=O)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C21H17N5O2/c22-20-18-19(25-26(14-10-15(27)11-14)21(18)24-12-23-20)13-6-8-17(9-7-13)28-16-4-2-1-3-5-16/h1-9,12,14H,10-11H2,(H2,22,23,24)