ethyl 4-azanyl-2-[1-[(3-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-[(3-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-[(3-methoxyphenyl)carbamoyl]propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3-methoxyanilino)-1-oxobutan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[1-[(3-methoxyphenyl)carbamoyl]propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C18H22N4O4S/c1-4-14(16(23)21-11-7-6-8-12(9-11)25-3)27-18-20-10-13(15(19)22-18)17(24)26-5-2/h6-10,14H,4-5H2,1-3H3,(H,21,23)(H2,19,20,22)