ethyl 4-azanyl-2-[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-methyl-2-(1-naphthylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(1-naphthalenylamino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-1-methyl-2-(1-naphthylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H20N4O3S/c1-3-27-19(26)15-11-22-20(24-17(15)21)28-12(2)18(25)23-16-10-6-8-13-7-4-5-9-14(13)16/h4-12H,3H2,1-2H3,(H,23,25)(H2,21,22,24)