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

Systemtic Name: 1-[5-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]pentyl]-1-heptyl-3-propan-2-yl-urea Openeye Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea CAS Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]pentyl]-1-heptyl-3-propan-2-ylurea IUPAC Name: 1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-ylurea Traditional Name: 1-[5-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]pentyl]-1-heptyl-3-isopropyl-urea Formula: C23H40N6O3S MolecularWeight: 480.6671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N6O3S/c1-6-7-8-9-11-14-29(22(31)24-17(2)3)15-12-10-13-16-33-21-25-18-19(26-21)27(4)23(32)28(5)20(18)30/h17H,6-16H2,1-5H3,(H,24,31)(H,25,26)