1-[5-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]pentyl]-1-hexyl-3-propan-2-yl-urea

Systemtic Name: 1-[5-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]pentyl]-1-hexyl-3-propan-2-yl-urea Openeye Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]pentyl]-1-hexyl-3-isopropyl-urea CAS Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]pentyl]-1-hexyl-3-propan-2-ylurea IUPAC Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]pentyl]-1-hexyl-3-propan-2-ylurea Traditional Name: 1-[5-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]pentyl]-1-hexyl-3-isopropyl-urea Formula: C22H38N6O3S MolecularWeight: 466.64052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C(=O)NC(C)C

Isomeric SMILES

CCCCCCN(CCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C(=O)NC(C)C

InChI

InChI=1S/C22H38N6O3S/c1-6-7-8-10-13-28(21(30)23-16(2)3)14-11-9-12-15-32-20-24-17-18(25-20)26(4)22(31)27(5)19(17)29/h16H,6-15H2,1-5H3,(H,23,30)(H,24,25)