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

Systemtic Name: methyl N-[[2-azanyl-6-[(4-chlorophenyl)methylamino]-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-[(4-chlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-[(4-chlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-[(4-chlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-6-[(4-chlorobenzyl)amino]-4-keto-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H15ClN6O3S MolecularWeight: 382.8253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN6O3S/c1-24-14(23)21-13(25)18-9-10(19-12(16)20-11(9)22)17-6-7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H2,18,21,23,25)(H4,16,17,19,20,22)