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

Systemtic Name: 9-(3-methoxyphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Openeye Name: 9-(3-methoxyphenyl)-2-[(1S)-1-methylbutyl]-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide IUPAC Name: 9-(3-methoxyphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(3-methoxyphenyl)-2-[(1S)-1-methylbutyl]-7H-purine-6-carboxamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-4-6-10(2)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)11-7-5-8-12(9-11)26-3/h5,7-10H,4,6H2,1-3H3,(H2,19,24)(H,21,25)/t10-/m0/s1