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

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-isopropyl-acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-isopropyl-acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-15(2)10-11-25-14-23-20-19(25)21(29)27(13-18(28)24-16(3)4)22(30)26(20)12-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3,(H,24,28)