3-(9-butan-2-yl-8-chloranyl-2-morpholin-4-yl-purin-6-yl)phenol

Systemtic Name: 3-(9-butan-2-yl-8-chloranyl-2-morpholin-4-yl-purin-6-yl)phenol Openeye Name: 3-(8-chloro-2-morpholino-9-sec-butyl-purin-6-yl)phenol CAS Name: 3-[9-butan-2-yl-8-chloro-2-(4-morpholinyl)-6-purinyl]phenol IUPAC Name: 3-(9-butan-2-yl-8-chloro-2-morpholin-4-ylpurin-6-yl)phenol Traditional Name: 3-(8-chloro-2-morpholino-9-sec-butyl-purin-6-yl)phenol Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=NC(=NC(=C2N=C1Cl)C3=CC(=CC=C3)O)N4CCOCC4

Isomeric SMILES

CCC(C)N1C2=NC(=NC(=C2N=C1Cl)C3=CC(=CC=C3)O)N4CCOCC4

InChI

InChI=1S/C19H22ClN5O2/c1-3-12(2)25-17-16(21-18(25)20)15(13-5-4-6-14(26)11-13)22-19(23-17)24-7-9-27-10-8-24/h4-6,11-12,26H,3,7-10H2,1-2H3