5-[9-[(3-methoxyphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine

Systemtic Name: 5-[9-[(3-methoxyphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]pyrimidin-2-amine Openeye Name: 5-[9-[(3-methoxyphenyl)methyl]-6-morpholino-purin-2-yl]pyrimidin-2-amine CAS Name: 5-[9-[(3-methoxyphenyl)methyl]-6-(4-morpholinyl)-2-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-[(3-methoxyphenyl)methyl]-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine Traditional Name: [5-(9-m-anisyl-6-morpholino-purin-2-yl)pyrimidin-2-yl]amine Formula: C21H22N8O2 MolecularWeight: 418.45178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C21H22N8O2/c1-30-16-4-2-3-14(9-16)12-29-13-25-17-19(28-5-7-31-8-6-28)26-18(27-20(17)29)15-10-23-21(22)24-11-15/h2-4,9-11,13H,5-8,12H2,1H3,(H2,22,23,24)