ethyl 4-azanyl-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[[2-(morpholinomethyl)phenyl]methylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[2-(4-morpholinylmethyl)phenyl]methylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[[2-(morpholinomethyl)benzyl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2CN3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NCC2=CC=CC=C2CN3CCOCC3

InChI

InChI=1S/C21H27N5O4S/c1-2-30-20(28)17-12-24-21(25-19(17)22)31-14-18(27)23-11-15-5-3-4-6-16(15)13-26-7-9-29-10-8-26/h3-6,12H,2,7-11,13-14H2,1H3,(H,23,27)(H2,22,24,25)