3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-7H-purine-2,6-dithione

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-7H-purine-2,6-dithione Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-7H-purine-2,6-dithione CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purine-2,6-dithione IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-7H-purine-2,6-dithione Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-7H-purine-2,6-dithione Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C3=C(C(=S)NC2=S)NC=N3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C3=C(C(=S)NC2=S)NC=N3)OC4CCCC4

InChI

InChI=1S/C18H20N4O2S2/c1-23-13-7-6-11(8-14(13)24-12-4-2-3-5-12)9-22-16-15(19-10-20-16)17(25)21-18(22)26/h6-8,10,12H,2-5,9H2,1H3,(H,19,20)(H,21,25,26)