3-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol Openeye Name: 3-[2-hydroxyethyl-[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]propan-1-ol CAS Name: 3-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-1-propanol IUPAC Name: 3-[2-hydroxyethyl-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]propan-1-ol Traditional Name: 3-[2-hydroxyethyl-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amino]propan-1-ol Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O3/c1-15(2)27-14-23-18-19(22-13-16-5-7-17(30-3)8-6-16)24-21(25-20(18)27)26(10-12-29)9-4-11-28/h5-8,14-15,28-29H,4,9-13H2,1-3H3,(H,22,24,25)