3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(1-oxidanyl-1-phenyl-propan-2-yl)propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-(1-oxidanyl-1-phenyl-propan-2-yl)propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)propionamide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(C(C1=CC=CC=C1)O)NC(=O)CCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H20N6O3/c1-10(14(25)11-5-3-2-4-6-11)20-12(24)7-8-23-9-19-13-15(23)21-17(18)22-16(13)26/h2-6,9-10,14,25H,7-8H2,1H3,(H,20,24)(H3,18,21,22,26)