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8-(5-diethoxyphosphorylthiophen-2-yl)-9-phenethyl-purin-6-amine

8-(5-diethoxyphosphorylthiophen-2-yl)-9-phenethyl-purin-6-amine

Systemtic Name:8-(5-diethoxyphosphorylthiophen-2-yl)-9-phenethyl-purin-6-amine
Openeye Name:8-(5-diethoxyphosphoryl-2-thienyl)-9-phenethyl-purin-6-amine
CAS Name:8-(5-diethoxyphosphoryl-2-thiophenyl)-9-phenethyl-6-purinamine
IUPAC Name:8-(5-diethoxyphosphorylthiophen-2-yl)-9-phenethylpurin-6-amine
Traditional Name:[8-(5-diethoxyphosphoryl-2-thienyl)-9-phenethyl-purin-6-yl]amine
Formula: C21H24N5O3PS
MolecularWeight: 457.485721
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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(S1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OCC


Isomeric SMILES

CCOP(=O)(C1=CC=C(S1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3N)OCC


InChI

InChI=1S/C21H24N5O3PS/c1-3-28-30(27,29-4-2)17-11-10-16(31-17)20-25-18-19(22)23-14-24-21(18)26(20)13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,24)


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