2-azanyl-9-(2-hydroxyethyloxymethyl)-1-(1-oxidanylidene-1-phenyl-propan-2-yl)purin-6-one

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-1-(1-oxidanylidene-1-phenyl-propan-2-yl)purin-6-one Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-1-(1-methyl-2-oxo-2-phenyl-ethyl)purin-6-one CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-1-(1-oxo-1-phenylpropan-2-yl)-6-purinone IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-1-(1-oxo-1-phenylpropan-2-yl)purin-6-one Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-1-(2-keto-1-methyl-2-phenyl-ethyl)purin-6-one Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C2N)N(C=N3)COCCO

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=C(N=C2N)N(C=N3)COCCO

InChI

InChI=1S/C17H19N5O4/c1-11(14(24)12-5-3-2-4-6-12)22-16(25)13-15(20-17(22)18)21(9-19-13)10-26-8-7-23/h2-6,9,11,23H,7-8,10H2,1H3,(H2,18,20)