2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-(3-methyl-5-oxidanyl-phenyl)butan-2-yl]ethanamide

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-(3-methyl-5-oxidanyl-phenyl)butan-2-yl]ethanamide Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3-hydroxy-5-methyl-phenyl)-1-methyl-propyl]acetamide CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-(3-hydroxy-5-methylphenyl)butan-2-yl]acetamide IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-(3-hydroxy-5-methylphenyl)butan-2-yl]acetamide Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-N-[2-(3-hydroxy-5-methyl-phenyl)-1-methyl-propyl]acetamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)C(C)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)C(C)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C18H22N6O3/c1-9-4-12(6-13(25)5-9)10(2)11(3)21-14(26)7-24-8-20-15-16(24)22-18(19)23-17(15)27/h4-6,8,10-11,25H,7H2,1-3H3,(H,21,26)(H3,19,22,23,27)