3-[[[2-(2-azanylethylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzoic acid

Systemtic Name: 3-[[[2-(2-azanylethylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]benzoic acid Openeye Name: 3-[[[2-(2-aminoethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzoic acid CAS Name: 3-[[[2-(2-aminoethylamino)-9-propan-2-yl-6-purinyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[2-(2-aminoethylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]benzoic acid Traditional Name: 3-[[[2-(2-aminoethylamino)-9-isopropyl-purin-6-yl]amino]methyl]benzoic acid Formula: C18H23N7O2 MolecularWeight: 369.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC(=C3)C(=O)O)NCCN

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC(=C3)C(=O)O)NCCN

InChI

InChI=1S/C18H23N7O2/c1-11(2)25-10-22-14-15(23-18(20-7-6-19)24-16(14)25)21-9-12-4-3-5-13(8-12)17(26)27/h3-5,8,10-11H,6-7,9,19H2,1-2H3,(H,26,27)(H2,20,21,23,24)