3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propane-1,2-diol

Systemtic Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propane-1,2-diol Openeye Name: 3-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]propane-1,2-diol CAS Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]propane-1,2-diol IUPAC Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]propane-1,2-diol Traditional Name: 3-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]amino]propane-1,2-diol Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NCC(CO)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NCC(CO)O

InChI

InChI=1S/C19H26N6O3/c1-12(2)25-11-22-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)21-9-14(27)10-26/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,21,23,24)