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

Systemtic Name: 2-azanyl-9-[(3R,4S,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3R,4S,5S)-4,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(3R,4S,5S)-4,5-bis(hydroxymethyl)-3-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3R,4S,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3R,4S,5S)-4,5-dimethyloltetrahydrofuran-3-yl]-3H-purin-6-one Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)CO)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@@H]([C@H]([C@H](O1)CO)CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C11H15N5O4/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-3-20-7(2-18)5(6)1-17/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6+,7-/m1/s1