3-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pentane-1,5-diol

Systemtic Name: 3-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]pentane-1,5-diol Openeye Name: 3-[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]pentane-1,5-diol CAS Name: 3-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]pentane-1,5-diol IUPAC Name: 3-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]pentane-1,5-diol Traditional Name: 3-[9-isopropyl-6-(p-anisylamino)purin-2-yl]pentane-1,5-diol Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C(CCO)CCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C(CCO)CCO

InChI

InChI=1S/C21H29N5O3/c1-14(2)26-13-23-18-20(22-12-15-4-6-17(29-3)7-5-15)24-19(25-21(18)26)16(8-10-27)9-11-28/h4-7,13-14,16,27-28H,8-12H2,1-3H3,(H,22,24,25)