2-[(4-butylphenyl)amino]-9-[(2R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione

Systemtic Name: 2-[(4-butylphenyl)amino]-9-[(2R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione Openeye Name: 2-(4-butylanilino)-9-[(2R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione CAS Name: 2-(4-butylanilino)-9-[(2R,5S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione IUPAC Name: 2-(4-butylanilino)-9-[(2R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione Traditional Name: 2-(4-butylanilino)-9-[(2R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purine-6-thione Formula: C20H25N5O3S MolecularWeight: 415.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)[C@H]4CC([C@@H](O4)CO)O

InChI

InChI=1S/C20H25N5O3S/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(29)24-20)21-11-25(18)16-9-14(27)15(10-26)28-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,29)/t14?,15-,16+/m0/s1