1-cyclohexyl-3-[4-(7H-purin-6-ylsulfanyl)butyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-(7H-purin-6-ylsulfanyl)butyl]urea Openeye Name: 1-cyclohexyl-3-[4-(7H-purin-6-ylsulfanyl)butyl]urea CAS Name: 1-cyclohexyl-3-[4-(7H-purin-6-ylthio)butyl]urea IUPAC Name: 1-cyclohexyl-3-[4-(7H-purin-6-ylsulfanyl)butyl]urea Traditional Name: 1-cyclohexyl-3-[4-(7H-purin-6-ylthio)butyl]urea Formula: C16H24N6OS MolecularWeight: 348.46636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H24N6OS/c23-16(22-12-6-2-1-3-7-12)17-8-4-5-9-24-15-13-14(19-10-18-13)20-11-21-15/h10-12H,1-9H2,(H2,17,22,23)(H,18,19,20,21)