ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C2=CC=C(C=C2)NC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C2=CC=C(C=C2)NC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C24H27N5O3S/c1-4-32-23(31)20-14-26-24(28-22(20)25)33-15-21(30)29(16(2)3)19-12-10-18(11-13-19)27-17-8-6-5-7-9-17/h5-14,16,27H,4,15H2,1-3H3,(H2,25,26,28)