4-tert-butyl-N-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoyl]benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H25N5O4/c1-21(2,3)14-8-6-13(7-9-14)18(28)23-15(27)10-11-26-12-22-17-16(26)19(29)25(5)20(30)24(17)4/h6-9,12H,10-11H2,1-5H3,(H,23,27,28)