8-(cyclohexylamino)-9-(phenylmethyl)-3H-purine-6-thione

Systemtic Name: 8-(cyclohexylamino)-9-(phenylmethyl)-3H-purine-6-thione Openeye Name: 9-benzyl-8-(cyclohexylamino)-3H-purine-6-thione CAS Name: 8-(cyclohexylamino)-9-(phenylmethyl)-3H-purine-6-thione IUPAC Name: 9-benzyl-8-(cyclohexylamino)-3H-purine-6-thione Traditional Name: 9-benzyl-8-(cyclohexylamino)-3H-purine-6-thione Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(N2CC4=CC=CC=C4)NC=NC3=S

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(N2CC4=CC=CC=C4)NC=NC3=S

InChI

InChI=1S/C18H21N5S/c24-17-15-16(19-12-20-17)23(11-13-7-3-1-4-8-13)18(22-15)21-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,21,22)(H,19,20,24)