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

Systemtic Name: N-(2,6-diethylphenyl)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanamide Openeye Name: N-(2,6-diethylphenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: N-(2,6-diethylphenyl)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanamide IUPAC Name: N-(2,6-diethylphenyl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(2,6-diethylphenyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H25N5O3/c1-5-13-8-7-9-14(6-2)16(13)22-15(26)10-11-25-12-21-18-17(25)19(27)24(4)20(28)23(18)3/h7-9,12H,5-6,10-11H2,1-4H3,(H,22,26)