3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-cyclopropyl-N-(2-thienylmethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-cyclopropyl-N-(2-thenyl)propionamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC3=CC=CS3)C4CC4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C25H35N5O3S/c1-3-5-7-15-28-20(26-23-22(28)24(32)27-25(33)29(23)14-6-4-2)12-13-21(31)30(18-10-11-18)17-19-9-8-16-34-19/h8-9,16,18H,3-7,10-15,17H2,1-2H3,(H,27,32,33)