2-azanyl-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyl-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4R,5S)-4-methyl-4,5-dimethylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC1CO)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c1-12(4-19)2-7(21-6(12)3-18)17-5-14-8-9(17)15-11(13)16-10(8)20/h5-7,18-19H,2-4H2,1H3,(H3,13,15,16,20)/t6-,7-,12-/m1/s1