9-cyclopropyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine

Systemtic Name: 9-cyclopropyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine Openeye Name: 9-cyclopropyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine CAS Name: 9-cyclopropyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine IUPAC Name: 9-cyclopropyl-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine Traditional Name: [9-cyclopropyl-8-(2-fluoroanilino)purin-2-yl]-(4-methoxyphenyl)amine Formula: C21H19FN6O MolecularWeight: 390.413563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CC5

InChI

InChI=1S/C21H19FN6O/c1-29-15-10-6-13(7-11-15)24-20-23-12-18-19(27-20)28(14-8-9-14)21(26-18)25-17-5-3-2-4-16(17)22/h2-7,10-12,14H,8-9H2,1H3,(H,25,26)(H,23,24,27)