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

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)acetamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-4-11-23-18(28)14-27-21(29)19-20(24-15-25(19)12-10-16(2)3)26(22(27)30)13-17-8-6-5-7-9-17/h4-9,15-16H,1,10-14H2,2-3H3,(H,23,28)