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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-iodanyl-2-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-iodo-2-isopropyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-iodo-2-propan-2-ylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-iodo-2-isopropyl-anilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21IN4O3S MolecularWeight: 500.35381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN4O3S/c1-4-26-17(25)13-8-21-18(23-16(13)20)27-9-15(24)22-14-6-5-11(19)7-12(14)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,22,24)(H2,20,21,23)