N-(1-adamantyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1-adamantyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(1-adamantyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1-adamantyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(1-adamantyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C20H27N5O3/c1-11(25-10-21-16-15(25)18(27)24(3)19(28)23(16)2)17(26)22-20-7-12-4-13(8-20)6-14(5-12)9-20/h10-14H,4-9H2,1-3H3,(H,22,26)