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

Systemtic Name: ethyl 4-azanyl-2-[1-[(3-cyanophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-[(3-cyanophenyl)carbamoyl]propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3-cyanoanilino)-1-oxobutan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-cyanoanilino)-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[1-[(3-cyanophenyl)carbamoyl]propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-3-14(16(24)22-12-7-5-6-11(8-12)9-19)27-18-21-10-13(15(20)23-18)17(25)26-4-2/h5-8,10,14H,3-4H2,1-2H3,(H,22,24)(H2,20,21,23)