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

Systemtic Name: methyl N-[[2-azanyl-6-[(3,4-dichlorophenyl)methylamino]-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-[(3,4-dichlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-[(3,4-dichlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-[(3,4-dichlorophenyl)methylamino]-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-6-[(3,4-dichlorobenzyl)amino]-4-keto-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H14Cl2N6O3S MolecularWeight: 417.27036

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H14Cl2N6O3S/c1-25-14(24)22-13(26)19-9-10(20-12(17)21-11(9)23)18-5-6-2-3-7(15)8(16)4-6/h2-4H,5H2,1H3,(H2,19,22,24,26)(H4,17,18,20,21,23)