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

Systemtic Name: 5-[9-(3-methylphenyl)-2-morpholin-4-yl-purin-6-yl]pyrimidin-2-amine Openeye Name: 5-[2-morpholino-9-(m-tolyl)purin-6-yl]pyrimidin-2-amine CAS Name: 5-[9-(3-methylphenyl)-2-(4-morpholinyl)-6-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine Traditional Name: [5-[2-morpholino-9-(m-tolyl)purin-6-yl]pyrimidin-2-yl]amine Formula: C20H20N8O MolecularWeight: 388.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C(N=C(N=C32)N4CCOCC4)C5=CN=C(N=C5)N

InChI

InChI=1S/C20H20N8O/c1-13-3-2-4-15(9-13)28-12-24-17-16(14-10-22-19(21)23-11-14)25-20(26-18(17)28)27-5-7-29-8-6-27/h2-4,9-12H,5-8H2,1H3,(H2,21,22,23)