ethyl 4-azanyl-2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(m-anisylamino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H20N4O4S/c1-3-25-16(23)13-9-20-17(21-15(13)18)26-10-14(22)19-8-11-5-4-6-12(7-11)24-2/h4-7,9H,3,8,10H2,1-2H3,(H,19,22)(H2,18,20,21)