2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-phenyloxan-4-yl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-phenyloxan-4-yl)methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-phenyl-4-oxanyl)methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-phenyloxan-4-yl)methyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]acetamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O4/c1-24-18-17(19(28)25(2)20(24)29)26(14-23-18)12-16(27)22-13-21(8-10-30-11-9-21)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,22,27)