ethyl 4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: ethyl 4-[3-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[3-(2-amino-4-keto-1H-pteridin-6-yl)propyl-tosyl-amino]benzoic acid ethyl ester Formula: C25H26N6O5S MolecularWeight: 522.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26N6O5S/c1-3-36-24(33)17-8-10-19(11-9-17)31(37(34,35)20-12-6-16(2)7-13-20)14-4-5-18-15-27-22-21(28-18)23(32)30-25(26)29-22/h6-13,15H,3-5,14H2,1-2H3,(H3,26,27,29,30,32)