8-oxidanylidene-2-[(2S)-pentan-2-yl]-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 8-oxidanylidene-2-[(2S)-pentan-2-yl]-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-[(1S)-1-methylbutyl]-8-oxo-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 8-oxo-2-[(2S)-pentan-2-yl]-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 8-oxo-2-[(2S)-pentan-2-yl]-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 8-keto-2-[(1S)-1-methylbutyl]-9-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5/c1-6-7-10(2)18-22-14(17(21)26)15-19(24-18)25(20(27)23-15)11-8-12(28-3)16(30-5)13(9-11)29-4/h8-10H,6-7H2,1-5H3,(H2,21,26)(H,23,27)/t10-/m0/s1