N-cyclopropyl-9-(3-ethoxyphenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-cyclopropyl-9-(3-ethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: N-cyclopropyl-9-(3-ethoxyphenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-cyclopropyl-9-(3-ethoxyphenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-cyclopropyl-9-(3-ethoxyphenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: cyclopropyl-[9-m-phenetyl-2-(trifluoromethyl)purin-6-yl]amine Formula: C17H16F3N5O MolecularWeight: 363.33705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C17H16F3N5O/c1-2-26-12-5-3-4-11(8-12)25-9-21-13-14(22-10-6-7-10)23-16(17(18,19)20)24-15(13)25/h3-5,8-10H,2,6-7H2,1H3,(H,22,23,24)