2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[(1R,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-[(1R,2S)-2-methylcyclohexyl]acetamide Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H20N6O2S/c1-7-4-2-3-5-8(7)16-9(21)6-23-14-17-10-11(19-14)18-13(15)20-12(10)22/h7-8H,2-6H2,1H3,(H,16,21)(H4,15,17,18,19,20,22)/t7-,8+/m0/s1