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

Systemtic Name: methyl N-[[2,4-bis(azanyl)-6-phenylmethoxy-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[(2,4-diamino-6-benzyloxy-pyrimidin-5-yl)carbamothioyl]carbamate CAS Name: N-[[(2,4-diamino-6-phenylmethoxy-5-pyrimidinyl)amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2,4-diamino-6-phenylmethoxypyrimidin-5-yl)carbamothioyl]carbamate Traditional Name: N-[(2,4-diamino-6-benzoxy-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(N=C(N=C1OCC2=CC=CC=C2)N)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(N=C(N=C1OCC2=CC=CC=C2)N)N

InChI

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