3-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanamide

Systemtic Name: 3-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanamide Openeye Name: 3-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propyl-purin-3-yl)propanamide CAS Name: 3-[8-tert-butyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]propanamide IUPAC Name: 3-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propylpurin-3-yl)propanamide Traditional Name: 3-(7-benzyl-8-tert-butyl-2,6-diketo-1-propyl-purin-3-yl)propionamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCC(=O)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCC(=O)N

InChI

InChI=1S/C22H29N5O3/c1-5-12-26-19(29)17-18(25(21(26)30)13-11-16(23)28)24-20(22(2,3)4)27(17)14-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3,(H2,23,28)