2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C17H20N6O2S/c1-3-9(2)10-4-6-11(7-5-10)19-12(24)8-26-17-20-13-14(22-17)21-16(18)23-15(13)25/h4-7,9H,3,8H2,1-2H3,(H,19,24)(H4,18,20,21,22,23,25)/t9-/m0/s1