8-[1,2-bis(azanyl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione hydrate

Systemtic Name: 8-[1,2-bis(azanyl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione hydrate Openeye Name: 8-(1,2-diaminoethyl)-1,3-dimethyl-7H-purine-2,6-dione hydrate CAS Name: 8-(1,2-diaminoethyl)-1,3-dimethyl-7H-purine-2,6-dione hydrate IUPAC Name: 8-(1,2-diaminoethyl)-1,3-dimethyl-7H-purine-2,6-dione hydrate Traditional Name: 8-(1,2-diaminoethyl)-1,3-dimethyl-7H-purine-2,6-quinone hydrate Formula: C9H16N6O3 MolecularWeight: 256.26174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(CN)N.O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(CN)N.O

InChI

InChI=1S/C9H14N6O2.H2O/c1-14-7-5(8(16)15(2)9(14)17)12-6(13-7)4(11)3-10;/h4H,3,10-11H2,1-2H3,(H,12,13);1H2