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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(ethylcarbamoyl)acetamide CAS Name: N-(ethylcarbamoyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(ethylcarbamoyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(ethylcarbamoyl)acetamide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)CN1C(=O)C2=C(N=CN2CC)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)CN1C(=O)C2=C(N=CN2CC)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N6O4/c1-3-20-18(28)22-14(26)11-25-17(27)15-16(21-12-23(15)4-2)24(19(25)29)10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,20,22,26,28)