2-azanyl-9-[(1S,3S)-3-(hydroxymethyl)-1,3-dihydro-2-benzofuran-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1S,3S)-3-(hydroxymethyl)-1,3-dihydro-2-benzofuran-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3S)-3-(hydroxymethyl)-1,3-dihydroisobenzofuran-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3S)-3-(hydroxymethyl)-1,3-dihydroisobenzofuran-1-yl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3S)-3-(hydroxymethyl)-1,3-dihydro-2-benzofuran-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3S)-3-methylolphthalan-1-yl]-3H-purin-6-one Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(OC(C2=C1)CO)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C2[C@H](O[C@@H](C2=C1)CO)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C14H13N5O3/c15-14-17-11-10(12(21)18-14)16-6-19(11)13-8-4-2-1-3-7(8)9(5-20)22-13/h1-4,6,9,13,20H,5H2,(H3,15,17,18,21)/t9-,13+/m1/s1