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

Systemtic Name: methyl N-[[2-azanyl-6-(naphthalen-1-ylmethylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-amino-6-(1-naphthylmethylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate CAS Name: N-[[[2-amino-6-(1-naphthalenylmethylamino)-4-oxo-1H-pyrimidin-5-yl]amino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-amino-6-(naphthalen-1-ylmethylamino)-4-oxo-1H-pyrimidin-5-yl]carbamothioyl]carbamate Traditional Name: N-[[2-amino-4-keto-6-(1-naphthylmethylamino)-1H-pyrimidin-5-yl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)NC(=S)NC1=C(NC(=NC1=O)N)NCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H18N6O3S/c1-27-18(26)24-17(28)21-13-14(22-16(19)23-15(13)25)20-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3,(H2,21,24,26,28)(H4,19,20,22,23,25)