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

Systemtic Name: methyl N-[[2-azanyl-4-oxidanylidene-6-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-(benzylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-4-oxo-6-[(phenylmethyl)amino]-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-(benzylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-6-(benzylamino)-4-keto-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCC2=CC=CC=C2

InChI

InChI=1S/C14H16N6O3S/c1-23-14(22)20-13(24)17-9-10(18-12(15)19-11(9)21)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,17,20,22,24)(H4,15,16,18,19,21)