ethyl 4-azanyl-2-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[3-(N-methylanilino)propylamino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-3-27-18(26)15-12-22-19(23-17(15)20)28-13-16(25)21-10-7-11-24(2)14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11,13H2,1-2H3,(H,21,25)(H2,20,22,23)