N-[1-[(1R,4S)-4-oxidanylcyclopent-2-en-1-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(1R,4S)-4-oxidanylcyclopent-2-en-1-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide CAS Name: N-[1-[(1R,4S)-4-hydroxy-1-cyclopent-2-enyl]-4-pyrazolo[3,4-d]pyrimidinyl]benzamide IUPAC Name: N-[1-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide Traditional Name: N-[1-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide Formula: C17H15N5O2 MolecularWeight: 323.325842

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1O)N2C3=C(C=N2)C(=NC=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](C=C[C@H]1O)N2C3=C(C=N2)C(=N[14CH]=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C17H15N5O2/c23-13-7-6-12(8-13)22-16-14(9-20-22)15(18-10-19-16)21-17(24)11-4-2-1-3-5-11/h1-7,9-10,12-13,23H,8H2,(H,18,19,21,24)/t12-,13+/m0/s1/i10+2