8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-benzyl-8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-7-(phenylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-benzyl-8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 7-benzyl-8-[3-(1,3-dithian-2-ylidene)cyclopentyl]-1,3-dipropyl-xanthine Formula: C27H34N4O2S2 MolecularWeight: 510.71446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(=C4SCCCS4)C3)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(=C4SCCCS4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2S2/c1-3-13-29-24-22(25(32)30(14-4-2)27(29)33)31(18-19-9-6-5-7-10-19)23(28-24)20-11-12-21(17-20)26-34-15-8-16-35-26/h5-7,9-10,20H,3-4,8,11-18H2,1-2H3