2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(isobutylcarbamoyl)acetamide Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H26N6O4/c1-4-25-13-23-18-17(25)19(29)27(12-16(28)24-20(30)22-10-14(2)3)21(31)26(18)11-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H2,22,24,28,30)