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

Systemtic Name: N-[9-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]purin-6-yl]benzamide CAS Name: N-[9-[(1R,4S)-4-methoxy-1-cyclopent-2-enyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]purin-6-yl]benzamide Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C=C1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2/c1-25-14-8-7-13(9-14)23-11-21-15-16(19-10-20-17(15)23)22-18(24)12-5-3-2-4-6-12/h2-8,10-11,13-14H,9H2,1H3,(H,19,20,22,24)/t13-,14+/m0/s1