methyl N-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)carbamothioyl]carbamate CAS Name: N-[[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)carbamothioyl]carbamate Traditional Name: N-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thiocarbamoyl]carbamic acid methyl ester Formula: C7H10N6O3S MolecularWeight: 258.2577

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)N

InChI

InChI=1S/C7H10N6O3S/c1-16-7(15)13-6(17)10-2-3(8)11-5(9)12-4(2)14/h1H3,(H2,10,13,15,17)(H5,8,9,11,12,14)