5-[[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[5-diethoxyphosphoryl-3,4-dimethoxy-2-(2-phenylethynyl)benzyl]pyrimidin-4-yl]amine Formula: C25H29N4O5P MolecularWeight: 496.495321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N4O5P/c1-5-33-35(30,34-6-2)21-15-18(14-19-16-28-25(27)29-24(19)26)20(22(31-3)23(21)32-4)13-12-17-10-8-7-9-11-17/h7-11,15-16H,5-6,14H2,1-4H3,(H4,26,27,28,29)