2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-3H-purin-6-one; morpholin-4-ium

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-3H-purin-6-one; morpholin-4-ium Openeye Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one; morpholin-4-ium CAS Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one; morpholin-4-ium IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one; morpholin-4-ium Traditional Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-3H-purin-6-one; morpholin-4-ium Formula: C13H23N6O5+ MolecularWeight: 343.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH2+]1.C1=NC2=C(N1COC(CCO)O)NC(=NC2=O)N

Isomeric SMILES

C1COCC[NH2+]1.C1=NC2=C(N1COC(CCO)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4.C4H9NO/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(16)1-2-15;1-3-6-4-2-5-1/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);5H,1-4H2/p+1