1-heptyl-1-[5-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]-3-propan-2-yl-urea

Systemtic Name: 1-heptyl-1-[5-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]pentyl]-3-propan-2-yl-urea Openeye Name: 1-[5-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea CAS Name: 1-heptyl-1-[5-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]pentyl]-3-propan-2-ylurea IUPAC Name: 1-[5-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-ylurea Traditional Name: 1-[5-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]pentyl]-1-heptyl-3-isopropyl-urea Formula: C27H42N4O2S MolecularWeight: 486.71298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2)C(=O)NC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2)C(=O)NC(C)C

InChI

InChI=1S/C27H42N4O2S/c1-4-5-6-7-12-17-31(27(33)28-22(2)3)18-13-9-14-19-34-26-29-24(21-25(32)30-26)20-23-15-10-8-11-16-23/h8,10-11,15-16,21-22H,4-7,9,12-14,17-20H2,1-3H3,(H,28,33)(H,29,30,32)