8-(2-azanylpyrimidin-4-yl)-9-cyclopropyl-N-(3-methoxyphenyl)purin-2-amine

Systemtic Name: 8-(2-azanylpyrimidin-4-yl)-9-cyclopropyl-N-(3-methoxyphenyl)purin-2-amine Openeye Name: 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(3-methoxyphenyl)purin-2-amine CAS Name: 8-(2-amino-4-pyrimidinyl)-9-cyclopropyl-N-(3-methoxyphenyl)-2-purinamine IUPAC Name: 8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-N-(3-methoxyphenyl)purin-2-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]-(3-methoxyphenyl)amine Formula: C19H18N8O MolecularWeight: 374.39922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=NC(=NC=C4)N)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)C4=NC(=NC=C4)N)C5CC5

InChI

InChI=1S/C19H18N8O/c1-28-13-4-2-3-11(9-13)23-19-22-10-15-17(26-19)27(12-5-6-12)16(24-15)14-7-8-21-18(20)25-14/h2-4,7-10,12H,5-6H2,1H3,(H2,20,21,25)(H,22,23,26)