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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-11(27-10-22-16-15(27)18(29)26(3)20(31)25(16)2)17(28)23-19(30)24-21-7-12-4-13(8-21)6-14(5-12)9-21/h10-14H,4-9H2,1-3H3,(H2,23,24,28,30)