N6-(3-chlorophenyl)-N2-[(3S)-2-methylpentan-3-yl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N6-(3-chlorophenyl)-N2-[(3S)-2-methylpentan-3-yl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N6-(3-chlorophenyl)-N2-[(1S)-1-ethyl-2-methyl-propyl]-9-isopropyl-purine-2,6-diamine CAS Name: N6-(3-chlorophenyl)-N2-[(3S)-2-methylpentan-3-yl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 6-N-(3-chlorophenyl)-2-N-[(3S)-2-methylpentan-3-yl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [6-(3-chloroanilino)-9-isopropyl-purin-2-yl]-[(1S)-1-ethyl-2-methyl-propyl]amine Formula: C20H27ClN6 MolecularWeight: 386.92158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

Isomeric SMILES

CC[C@@H](C(C)C)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C

InChI

InChI=1S/C20H27ClN6/c1-6-16(12(2)3)24-20-25-18(23-15-9-7-8-14(21)10-15)17-19(26-20)27(11-22-17)13(4)5/h7-13,16H,6H2,1-5H3,(H2,23,24,25,26)/t16-/m0/s1