1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-1-oxidanylidene-4-phenyl-but-3-yne-2-sulfonamide

Systemtic Name: 1-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]-1-oxidanylidene-4-phenyl-but-3-yne-2-sulfonamide Openeye Name: 1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-oxo-4-phenyl-but-3-yne-2-sulfonamide CAS Name: 1-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-1-oxo-4-phenyl-3-butyne-2-sulfonamide IUPAC Name: 1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]-1-oxo-4-phenylbut-3-yne-2-sulfonamide Traditional Name: 1-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-keto-4-phenyl-but-3-yne-2-sulfonamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)C(C#CC3=CC=CC=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C(=O)C(C#CC3=CC=CC=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C23H23N5O5S/c1-32-18-12-15(10-16-13-27-23(25)28-22(16)24)11-17(21(18)33-2)20(29)19(34(26,30)31)9-8-14-6-4-3-5-7-14/h3-7,11-13,19H,10H2,1-2H3,(H2,26,30,31)(H4,24,25,27,28)