3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine

Systemtic Name: 3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine Openeye Name: 3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine CAS Name: 3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)-4-pyrazolo[5,1-c][1,2,4]triazinamine IUPAC Name: 3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-amine Traditional Name: [3-diethoxyphosphoryl-7-methyl-8-(2-phenylethynyl)pyrazolo[5,1-c][1,2,4]triazin-4-yl]amine Formula: C18H20N5O3P MolecularWeight: 385.356861

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(N2C(=C(C(=N2)C)C#CC3=CC=CC=C3)N=N1)N)OCC

Isomeric SMILES

CCOP(=O)(C1=C(N2C(=C(C(=N2)C)C#CC3=CC=CC=C3)N=N1)N)OCC

InChI

InChI=1S/C18H20N5O3P/c1-4-25-27(24,26-5-2)18-16(19)23-17(20-21-18)15(13(3)22-23)12-11-14-9-7-6-8-10-14/h6-10H,4-5,19H2,1-3H3