2-azanyl-1-isocyanato-6-methyl-pyrimidin-4-one

Systemtic Name: 2-azanyl-1-isocyanato-6-methyl-pyrimidin-4-one Openeye Name: 2-amino-1-isocyanato-6-methyl-pyrimidin-4-one CAS Name: 2-amino-1-isocyanato-6-methyl-4-pyrimidinone IUPAC Name: 2-amino-1-isocyanato-6-methylpyrimidin-4-one Traditional Name: 2-amino-1-isocyanato-6-methyl-pyrimidin-4-one Formula: C6H6N4O2 MolecularWeight: 166.13744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1N=C=O)N

Isomeric SMILES

CC1=CC(=O)N=C(N1N=C=O)N

InChI

InChI=1S/C6H6N4O2/c1-4-2-5(12)9-6(7)10(4)8-3-11/h2H,1H3,(H2,7,9,12)