1-heptyl-3-propan-2-yl-1-(5-purin-9-ylsulfanylpentyl)urea

Systemtic Name: 1-heptyl-3-propan-2-yl-1-(5-purin-9-ylsulfanylpentyl)urea Openeye Name: 1-heptyl-3-isopropyl-1-(5-purin-9-ylsulfanylpentyl)urea CAS Name: 1-heptyl-3-propan-2-yl-1-[5-(9-purinylthio)pentyl]urea IUPAC Name: 1-heptyl-3-propan-2-yl-1-(5-purin-9-ylsulfanylpentyl)urea Traditional Name: 1-heptyl-3-isopropyl-1-[5-(purin-9-ylthio)pentyl]urea Formula: C21H36N6OS MolecularWeight: 420.61514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSN1C=NC2=CN=CN=C21)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCSN1C=NC2=CN=CN=C21)C(=O)NC(C)C

InChI

InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-26(21(28)25-18(2)3)13-10-8-11-14-29-27-17-24-19-15-22-16-23-20(19)27/h15-18H,4-14H2,1-3H3,(H,25,28)