ethyl N-[4,6-bis(azanyl)-2-methylsulfanyl-pyrimidin-5-yl]-N-(ethoxycarbonylamino)carbamate

Systemtic Name: ethyl N-[4,6-bis(azanyl)-2-methylsulfanyl-pyrimidin-5-yl]-N-(ethoxycarbonylamino)carbamate Openeye Name: ethyl N-(4,6-diamino-2-methylsulfanyl-pyrimidin-5-yl)-N-(ethoxycarbonylamino)carbamate CAS Name: N-[4,6-diamino-2-(methylthio)-5-pyrimidinyl]-N-(ethoxycarbonylamino)carbamic acid ethyl ester IUPAC Name: ethyl N-(4,6-diamino-2-methylsulfanylpyrimidin-5-yl)-N-(ethoxycarbonylamino)carbamate Traditional Name: N-(carbethoxyamino)-N-[4,6-diamino-2-(methylthio)pyrimidin-5-yl]carbamic acid ethyl ester Formula: C11H18N6O4S MolecularWeight: 330.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C1=C(N=C(N=C1N)SC)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)NN(C1=C(N=C(N=C1N)SC)N)C(=O)OCC

InChI

InChI=1S/C11H18N6O4S/c1-4-20-10(18)16-17(11(19)21-5-2)6-7(12)14-9(22-3)15-8(6)13/h4-5H2,1-3H3,(H,16,18)(H4,12,13,14,15)