2-(3-methylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide

Systemtic Name: 2-(3-methylphenyl)-8-oxidanylidene-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide Openeye Name: 2-(m-tolyl)-8-oxo-9-(tetrahydrofuran-2-ylmethyl)-7H-purine-6-carboxamide CAS Name: 2-(3-methylphenyl)-8-oxo-9-(2-oxolanylmethyl)-7H-purine-6-carboxamide IUPAC Name: 2-(3-methylphenyl)-8-oxo-9-(oxolan-2-ylmethyl)-7H-purine-6-carboxamide Traditional Name: 8-keto-2-(m-tolyl)-9-(tetrahydrofurfuryl)-7H-purine-6-carboxamide Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C3C(=N2)N(C(=O)N3)CC4CCCO4)C(=O)N

InChI

InChI=1S/C18H19N5O3/c1-10-4-2-5-11(8-10)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)9-12-6-3-7-26-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,19,24)(H,21,25)