2-azanyl-9-[(2S,3S)-2,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S,3S)-2,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S,3S)-2,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S,3S)-2,3-bis(hydroxymethyl)-1-pyrrolidinyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S,3S)-2,3-bis(hydroxymethyl)pyrrolidin-1-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S,3S)-2,3-dimethylolpyrrolidino]-3H-purin-6-one Formula: C11H16N6O3 MolecularWeight: 280.28314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CO)CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1CN([C@@H]([C@H]1CO)CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C11H16N6O3/c12-11-14-9-8(10(20)15-11)13-5-17(9)16-2-1-6(3-18)7(16)4-19/h5-7,18-19H,1-4H2,(H3,12,14,15,20)/t6-,7-/m1/s1