N-(6-azanylhexyl)-2-[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-azanylhexyl)-2-[4-chloranyl-6-[phenethyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-aminohexyl)-2-[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(6-aminohexyl)-2-[[4-chloro-6-[phenethyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(6-aminohexyl)-2-[4-[benzyl(phenethyl)amino]-6-chloropyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(6-aminohexyl)-2-[[4-[benzyl(phenethyl)amino]-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C27H34ClN5OS MolecularWeight: 512.10976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCCCCCN)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCCCCCN)Cl

InChI

InChI=1S/C27H34ClN5OS/c28-24-19-25(32-27(31-24)35-21-26(34)30-17-10-2-1-9-16-29)33(20-23-13-7-4-8-14-23)18-15-22-11-5-3-6-12-22/h3-8,11-14,19H,1-2,9-10,15-18,20-21,29H2,(H,30,34)