methyl 3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5,6-dimethoxy-6-oxidanyl-3-(2-phenylethynyl)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-5,6-dimethoxy-6-oxidanyl-3-(2-phenylethynyl)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 3-[(2,4-diaminopyrimidin-5-yl)methyl]-6-hydroxy-5,6-dimethoxy-3-(2-phenylethynyl)cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-[(2,4-diamino-5-pyrimidinyl)methyl]-6-hydroxy-5,6-dimethoxy-3-(2-phenylethynyl)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2,4-diaminopyrimidin-5-yl)methyl]-6-hydroxy-5,6-dimethoxy-3-(2-phenylethynyl)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 3-[(2,4-diaminopyrimidin-5-yl)methyl]-6-hydroxy-5,6-dimethoxy-3-(2-phenylethynyl)cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5/c1-30-18-13-22(10-9-15-7-5-4-6-8-15,11-16-14-26-21(25)27-19(16)24)12-17(20(28)31-2)23(18,29)32-3/h4-8,12-14,29H,11H2,1-3H3,(H4,24,25,26,27)