N-cyclopropyl-9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H16F3N5O2 MolecularWeight: 379.33645

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F)OC

InChI

InChI=1S/C17H16F3N5O2/c1-26-11-6-5-10(7-12(11)27-2)25-8-21-13-14(22-9-3-4-9)23-16(17(18,19)20)24-15(13)25/h5-9H,3-4H2,1-2H3,(H,22,23,24)