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

Systemtic Name: methyl N-[[2-azanyl-6-(hexylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-(hexylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-(hexylamino)-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-(hexylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-6-(hexylamino)-4-keto-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H22N6O3S MolecularWeight: 342.41718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=O)N=C(N1)N)NC(=S)NC(=O)OC

Isomeric SMILES

CCCCCCNC1=C(C(=O)N=C(N1)N)NC(=S)NC(=O)OC

InChI

InChI=1S/C13H22N6O3S/c1-3-4-5-6-7-15-9-8(10(20)18-11(14)17-9)16-12(23)19-13(21)22-2/h3-7H2,1-2H3,(H2,16,19,21,23)(H4,14,15,17,18,20)