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

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-4-10-22-17(27)13-26-20(28)18-19(23-14-24(18)11-15(2)3)25(21(26)29)12-16-8-6-5-7-9-16/h4-9,14-15H,1,10-13H2,2-3H3,(H,22,27)