ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H23N5O3S/c1-2-27-18(26)15-11-21-19(23-17(15)20)28-12-16(25)22-13-5-7-14(8-6-13)24-9-3-4-10-24/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,25)(H2,20,21,23)