9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]-3H-purin-6-one

Systemtic Name: 9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]-3H-purin-6-one Openeye Name: 9-[(1S,4R)-4-(benzyloxymethyl)cyclobut-2-en-1-yl]-3H-purin-6-one CAS Name: 9-[(1S,4R)-4-(phenylmethoxymethyl)-1-cyclobut-2-enyl]-3H-purin-6-one IUPAC Name: 9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]-3H-purin-6-one Traditional Name: 9-[(1S,4R)-4-(benzoxymethyl)cyclobut-2-en-1-yl]-3H-purin-6-one Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C=CC2N3C=NC4=C3NC=NC4=O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2C=C[C@@H]2N3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C17H16N4O2/c22-17-15-16(18-10-19-17)21(11-20-15)14-7-6-13(14)9-23-8-12-4-2-1-3-5-12/h1-7,10-11,13-14H,8-9H2,(H,18,19,22)/t13-,14-/m0/s1