N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C21H23N5O2S/c27-17(22-12-11-15-7-3-1-4-8-15)13-29-21-25-18-19(23-14-24-20(18)28)26(21)16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,22,27)(H,23,24,28)