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

Systemtic Name: 2-azanyl-9-[(1S,3R,4S)-3-(hydroxymethyl)-2-methylidene-4-oxidanyl-cyclopentyl]-3H-purin-6-one dihydrate Openeye Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one dihydrate CAS Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-3H-purin-6-one dihydrate IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one dihydrate Traditional Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-2-methylene-3-methylol-cyclopentyl]-3H-purin-6-one dihydrate Formula: C12H19N5O5 MolecularWeight: 313.30976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O3.2H2O/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);2*1H2/t6-,7-,8-;;/m0../s1