2-azanyl-9-[3,3-bis(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,3-bis(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-3,3-dimethylol-butyl)-3H-purin-6-one Formula: C11H17N5O4 MolecularWeight: 283.28378

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)(CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C11H17N5O4/c12-10-14-8-7(9(20)15-10)13-6-16(8)2-1-11(3-17,4-18)5-19/h6,17-19H,1-5H2,(H3,12,14,15,20)