9-(2-oxidanyl-6-phenyl-hexan-3-yl)-2-sulfanylidene-3H-purin-6-one

Systemtic Name: 9-(2-oxidanyl-6-phenyl-hexan-3-yl)-2-sulfanylidene-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-thioxo-3H-purin-6-one CAS Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-sulfanylidene-3H-purin-6-one IUPAC Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-sulfanylidene-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-thioxo-3H-purin-6-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=S)NC3=O)O

Isomeric SMILES

CC(C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=S)NC3=O)O

InChI

InChI=1S/C17H20N4O2S/c1-11(22)13(9-5-8-12-6-3-2-4-7-12)21-10-18-14-15(21)19-17(24)20-16(14)23/h2-4,6-7,10-11,13,22H,5,8-9H2,1H3,(H2,19,20,23,24)