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

Systemtic Name: methyl N-[[4-azanyl-2-(phenylmethylsulfanyl)pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[(4-amino-2-benzylsulfanyl-pyrimidin-5-yl)carbamothioyl]carbamate CAS Name: N-[[[4-amino-2-(phenylmethylthio)-5-pyrimidinyl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-amino-2-benzylsulfanylpyrimidin-5-yl)carbamothioyl]carbamate Traditional Name: N-[[4-amino-2-(benzylthio)pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CN=C(N=C1N)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=S)NC1=CN=C(N=C1N)SCC2=CC=CC=C2

InChI

InChI=1S/C14H15N5O2S2/c1-21-14(20)19-12(22)17-10-7-16-13(18-11(10)15)23-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,15,16,18)(H2,17,19,20,22)