9-(2,3-dimethoxyphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide

Systemtic Name: 9-(2,3-dimethoxyphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Openeye Name: 9-(2,3-dimethoxyphenyl)-2-[(1S)-1-methylbutyl]-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2,3-dimethoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide IUPAC Name: 9-(2,3-dimethoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Traditional Name: 9-(2,3-dimethoxyphenyl)-8-keto-2-[(1S)-1-methylbutyl]-7H-purine-6-carboxamide Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-5-7-10(2)17-21-13(16(20)25)14-18(23-17)24(19(26)22-14)11-8-6-9-12(27-3)15(11)28-4/h6,8-10H,5,7H2,1-4H3,(H2,20,25)(H,22,26)/t10-/m0/s1