9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one

Systemtic Name: 9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one Openeye Name: 9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one CAS Name: 9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one IUPAC Name: 9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one Traditional Name: 9-(2-isocyanoethyl)-2-(methylamino)-3H-purin-6-one Formula: C9H10N6O MolecularWeight: 218.2153

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=C(N1)N(C=N2)CC[N+]#[C-]

Isomeric SMILES

CNC1=NC(=O)C2=C(N1)N(C=N2)CC[N+]#[C-]

InChI

InChI=1S/C9H10N6O/c1-10-3-4-15-5-12-6-7(15)13-9(11-2)14-8(6)16/h5H,3-4H2,2H3,(H2,11,13,14,16)