2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butanoic acid

Systemtic Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butanoic acid Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butanoic acid CAS Name: 2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]butanoic acid IUPAC Name: 2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butanoic acid Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butyric acid Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CCC(C(=O)O)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C19H24N6O2/c1-4-14(18(26)27)22-19-23-16(20-10-13-8-6-5-7-9-13)15-17(24-19)25(11-21-15)12(2)3/h5-9,11-12,14H,4,10H2,1-3H3,(H,26,27)(H2,20,22,23,24)