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

Systemtic Name: methyl N-[[2,4-bis(azanyl)pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[(2,4-diaminopyrimidin-5-yl)carbamothioyl]carbamate CAS Name: N-[[(2,4-diamino-5-pyrimidinyl)amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2,4-diaminopyrimidin-5-yl)carbamothioyl]carbamate Traditional Name: N-[(2,4-diaminopyrimidin-5-yl)thiocarbamoyl]carbamic acid methyl ester Formula: C7H10N6O2S MolecularWeight: 242.2583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CN=C(N=C1N)N

Isomeric SMILES

COC(=O)NC(=S)NC1=CN=C(N=C1N)N

InChI

InChI=1S/C7H10N6O2S/c1-15-7(14)13-6(16)11-3-2-10-5(9)12-4(3)8/h2H,1H3,(H4,8,9,10,12)(H2,11,13,14,16)