9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one

Systemtic Name: 9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one Openeye Name: 9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one CAS Name: 9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one IUPAC Name: 9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one Traditional Name: 9-[(1R,2S)-2-phenylcyclopropyl]-3H-purin-6-one Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1N2C=NC3=C2NC=NC3=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@@H]1N2C=NC3=C2NC=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C14H12N4O/c19-14-12-13(15-7-16-14)18(8-17-12)11-6-10(11)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6H2,(H,15,16,19)/t10-,11+/m0/s1