methyl N-[[2-azanyl-6-[[3-(hydroxymethyl)phenyl]amino]-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-azanyl-6-[[3-(hydroxymethyl)phenyl]amino]-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-[3-(hydroxymethyl)anilino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-[3-(hydroxymethyl)anilino]-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-[3-(hydroxymethyl)anilino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-keto-6-(3-methylolanilino)-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NC2=CC=CC(=C2)CO

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NC2=CC=CC(=C2)CO

InChI

InChI=1S/C14H16N6O4S/c1-24-14(23)20-13(25)17-9-10(18-12(15)19-11(9)22)16-8-4-2-3-7(5-8)6-21/h2-5,21H,6H2,1H3,(H2,17,20,23,25)(H4,15,16,18,19,22)