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

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

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27N5O3/c1-23-17-16(18(27)24(2)19(23)28)25(11-21-17)4-3-15(26)22-20-8-12-5-13(9-20)7-14(6-12)10-20/h11-14H,3-10H2,1-2H3,(H,22,26)