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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[(3-methyl-2-thienyl)methyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[(3-methyl-2-thiophenyl)methyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[(3-methyl-2-thienyl)methyl]propionamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=C(C=CS3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=C(C=CS3)C

InChI

InChI=1S/C23H33N5O3S/c1-4-6-8-13-27-18(9-10-19(29)24-15-17-16(3)11-14-32-17)25-21-20(27)22(30)26-23(31)28(21)12-7-5-2/h11,14H,4-10,12-13,15H2,1-3H3,(H,24,29)(H,26,30,31)