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

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-2-methylidene-4-oxidanyl-cyclopentyl]-3H-purin-6-one hydrate Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one hydrate CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one hydrate IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one hydrate Traditional Name: 2-amino-9-(4-hydroxy-2-methylene-3-methylol-cyclopentyl)-3H-purin-6-one hydrate Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O

Isomeric SMILES

C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O

InChI

InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2