ethyl 4-azanyl-2-[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H20N4O5S/c1-3-33-23(32)18-11-26-24(28-21(18)25)34-12(2)22(31)27-13-8-9-16-17(10-13)20(30)15-7-5-4-6-14(15)19(16)29/h4-12H,3H2,1-2H3,(H,27,31)(H2,25,26,28)