9-(2-ethoxyphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide

Systemtic Name: 9-(2-ethoxyphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Openeye Name: 9-(2-ethoxyphenyl)-2-[(1S)-1-methylbutyl]-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2-ethoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide IUPAC Name: 9-(2-ethoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Traditional Name: 8-keto-2-[(1S)-1-methylbutyl]-9-o-phenetyl-7H-purine-6-carboxamide Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3OCC)C(=O)N

Isomeric SMILES

CCC[C@H](C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=CC=C3OCC)C(=O)N

InChI

InChI=1S/C19H23N5O3/c1-4-8-11(3)17-21-14(16(20)25)15-18(23-17)24(19(26)22-15)12-9-6-7-10-13(12)27-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,20,25)(H,22,26)/t11-/m0/s1