2-azanyl-9-[(1R,3R,4R)-4-(hydroxymethyl)-2-methylidene-3-oxidanyl-cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1R,3R,4R)-4-(hydroxymethyl)-2-methylidene-3-oxidanyl-cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1R,3R,4R)-3-hydroxy-2-methylene-4-methylol-cyclopentyl]-3H-purin-6-one Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(CC(C1O)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C=C1[C@@H](C[C@@H]([C@H]1O)CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H15N5O3/c1-5-7(2-6(3-18)9(5)19)17-4-14-8-10(17)15-12(13)16-11(8)20/h4,6-7,9,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,9+/m1/s1