(4-chlorophenyl)-[9-methyl-2-[(3-methyl-3-oxidanyl-butan-2-yl)amino]purin-8-yl]methanone

Systemtic Name: (4-chlorophenyl)-[9-methyl-2-[(3-methyl-3-oxidanyl-butan-2-yl)amino]purin-8-yl]methanone Openeye Name: (4-chlorophenyl)-[2-[(2-hydroxy-1,2-dimethyl-propyl)amino]-9-methyl-purin-8-yl]methanone CAS Name: (4-chlorophenyl)-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]-9-methyl-8-purinyl]methanone IUPAC Name: (4-chlorophenyl)-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]-9-methylpurin-8-yl]methanone Traditional Name: (4-chlorophenyl)-[2-[(2-hydroxy-1,2-dimethyl-propyl)amino]-9-methyl-purin-8-yl]methanone Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=NC=C2C(=N1)N(C(=N2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(C(C)(C)O)NC1=NC=C2C(=N1)N(C(=N2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H20ClN5O2/c1-10(18(2,3)26)21-17-20-9-13-15(23-17)24(4)16(22-13)14(25)11-5-7-12(19)8-6-11/h5-10,26H,1-4H3,(H,20,21,23)