N-(3-methoxyphenyl)-8-[2-(methylamino)pyrimidin-4-yl]-9-propan-2-yl-purin-2-amine

Systemtic Name: N-(3-methoxyphenyl)-8-[2-(methylamino)pyrimidin-4-yl]-9-propan-2-yl-purin-2-amine Openeye Name: 9-isopropyl-N-(3-methoxyphenyl)-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine CAS Name: N-(3-methoxyphenyl)-8-[2-(methylamino)-4-pyrimidinyl]-9-propan-2-yl-2-purinamine IUPAC Name: N-(3-methoxyphenyl)-8-[2-(methylamino)pyrimidin-4-yl]-9-propan-2-ylpurin-2-amine Traditional Name: [4-[9-isopropyl-2-(m-anisidino)purin-8-yl]pyrimidin-2-yl]-methyl-amine Formula: C20H22N8O MolecularWeight: 390.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=CN=C(N=C21)NC3=CC(=CC=C3)OC)C4=NC(=NC=C4)NC

Isomeric SMILES

CC(C)N1C(=NC2=CN=C(N=C21)NC3=CC(=CC=C3)OC)C4=NC(=NC=C4)NC

InChI

InChI=1S/C20H22N8O/c1-12(2)28-17(15-8-9-22-19(21-3)26-15)25-16-11-23-20(27-18(16)28)24-13-6-5-7-14(10-13)29-4/h5-12H,1-4H3,(H,21,22,26)(H,23,24,27)