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

Systemtic Name: methyl N-[[2-azanyl-6-[(3-methylphenyl)methylamino]-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-(m-tolylmethylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-[(3-methylphenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-[(3-methylphenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-keto-6-[(3-methylbenzyl)amino]-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=C(C(=O)N=C(N2)N)NC(=S)NC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=C(C(=O)N=C(N2)N)NC(=S)NC(=O)OC

InChI

InChI=1S/C15H18N6O3S/c1-8-4-3-5-9(6-8)7-17-11-10(12(22)20-13(16)19-11)18-14(25)21-15(23)24-2/h3-6H,7H2,1-2H3,(H2,18,21,23,25)(H4,16,17,19,20,22)