5-[9-butan-2-yl-2-[(3S)-3-methylmorpholin-4-yl]purin-6-yl]pyrimidin-2-amine

Systemtic Name: 5-[9-butan-2-yl-2-[(3S)-3-methylmorpholin-4-yl]purin-6-yl]pyrimidin-2-amine Openeye Name: 5-[2-[(3S)-3-methylmorpholin-4-yl]-9-sec-butyl-purin-6-yl]pyrimidin-2-amine CAS Name: 5-[9-butan-2-yl-2-[(3S)-3-methyl-4-morpholinyl]-6-purinyl]-2-pyrimidinamine IUPAC Name: 5-[9-butan-2-yl-2-[(3S)-3-methylmorpholin-4-yl]purin-6-yl]pyrimidin-2-amine Traditional Name: [5-[2-[(3S)-3-methylmorpholino]-9-sec-butyl-purin-6-yl]pyrimidin-2-yl]amine Formula: C18H24N8O MolecularWeight: 368.43616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3C)C4=CN=C(N=C4)N

Isomeric SMILES

CCC(C)N1C=NC2=C(N=C(N=C21)N3CCOC[C@@H]3C)C4=CN=C(N=C4)N

InChI

InChI=1S/C18H24N8O/c1-4-11(2)26-10-22-15-14(13-7-20-17(19)21-8-13)23-18(24-16(15)26)25-5-6-27-9-12(25)3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,19,20,21)/t11?,12-/m0/s1