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

Systemtic Name: N-(1-adamantylmethyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(1-adamantylmethyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(1-adamantylmethyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(1-adamantylmethyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(1-adamantylmethyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N5O3/c1-24-18-17(19(28)25(2)20(24)29)26(12-23-18)4-3-16(27)22-11-21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,3-11H2,1-2H3,(H,22,27)