ethyl 1-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-[2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl]-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C31H25N3O6S MolecularWeight: 567.6117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)SCCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)SCCC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O6S/c1-2-40-30(39)25-17-32-31(41-15-14-19-8-4-3-5-9-19)34(29(25)38)18-26(35)33-20-12-13-23-24(16-20)28(37)22-11-7-6-10-21(22)27(23)36/h3-13,16-17H,2,14-15,18H2,1H3,(H,33,35)