N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-amine

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-amine Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-amine CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-8-(4-fluorophenyl)-2-methyl-9-propyl-6-purinamine IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(4-fluorophenyl)-2-methyl-9-propylpurin-6-amine Traditional Name: (1-ethylpyrrolidin-2-yl)methyl-[8-(4-fluorophenyl)-2-methyl-9-propyl-purin-6-yl]amine Formula: C22H29FN6 MolecularWeight: 396.504263

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C)NCC3CCCN3CC)N=C1C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C)NCC3CCCN3CC)N=C1C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN6/c1-4-12-29-21(16-8-10-17(23)11-9-16)27-19-20(25-15(3)26-22(19)29)24-14-18-7-6-13-28(18)5-2/h8-11,18H,4-7,12-14H2,1-3H3,(H,24,25,26)