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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)N

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)N

InChI

InChI=1S/C19H22N6O4/c1-12(2)8-23-11-21-16-15(23)17(27)25(10-14(26)22-18(20)28)19(29)24(16)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H3,20,22,26,28)