N2-(2-azanylpropyl)-8-chloranyl-N6-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-azanylpropyl)-8-chloranyl-N6-(phenylmethyl)-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-aminopropyl)-N6-benzyl-8-chloro-9-isopropyl-purine-2,6-diamine CAS Name: N2-(2-aminopropyl)-8-chloro-N6-(phenylmethyl)-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminopropyl)-6-N-benzyl-8-chloro-9-propan-2-ylpurine-2,6-diamine Traditional Name: 2-aminopropyl-[6-(benzylamino)-8-chloro-9-isopropyl-purin-2-yl]amine Formula: C18H24ClN7 MolecularWeight: 373.88306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCC(C)N)NCC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCC(C)N)NCC3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C18H24ClN7/c1-11(2)26-16-14(23-17(26)19)15(21-10-13-7-5-4-6-8-13)24-18(25-16)22-9-12(3)20/h4-8,11-12H,9-10,20H2,1-3H3,(H2,21,22,24,25)