N-[9-[(1R,4S)-4-azanylcyclopent-2-en-1-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(1R,4S)-4-azanylcyclopent-2-en-1-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(1R,4S)-4-aminocyclopent-2-en-1-yl]purin-6-yl]benzamide CAS Name: N-[9-[(1R,4S)-4-amino-1-cyclopent-2-enyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(1R,4S)-4-aminocyclopent-2-en-1-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(1R,4S)-4-aminocyclopent-2-en-1-yl]purin-6-yl]benzamide Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C17H16N6O/c18-12-6-7-13(8-12)23-10-21-14-15(19-9-20-16(14)23)22-17(24)11-4-2-1-3-5-11/h1-7,9-10,12-13H,8,18H2,(H,19,20,22,24)/t12-,13+/m1/s1