3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(5-chloranylthiophen-2-yl)methyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(5-chloranylthiophen-2-yl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(5-chloro-2-thienyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(5-chloro-2-thiophenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[(5-chloro-2-thienyl)methyl]propionamide Formula: C22H30ClN5O3S MolecularWeight: 480.0233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(S3)Cl

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(S3)Cl

InChI

InChI=1S/C22H30ClN5O3S/c1-3-5-7-13-27-17(10-11-18(29)24-14-15-8-9-16(23)32-15)25-20-19(27)21(30)26-22(31)28(20)12-6-4-2/h8-9H,3-7,10-14H2,1-2H3,(H,24,29)(H,26,30,31)