2-[(4-butylphenyl)amino]-9-(2-hydroxyethyloxymethyl)-3H-purine-6-thione

Systemtic Name: 2-[(4-butylphenyl)amino]-9-(2-hydroxyethyloxymethyl)-3H-purine-6-thione Openeye Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purine-6-thione CAS Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purine-6-thione IUPAC Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purine-6-thione Traditional Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purine-6-thione Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO

InChI

InChI=1S/C18H23N5O2S/c1-2-3-4-13-5-7-14(8-6-13)20-18-21-16-15(17(26)22-18)19-11-23(16)12-25-10-9-24/h5-8,11,24H,2-4,9-10,12H2,1H3,(H2,20,21,22,26)