1-(6-azanyl-2-cyclopentylsulfanyl-pyrimidin-4-yl)-1-(4-tert-butylphenyl)-3-ethyl-urea

Systemtic Name: 1-(6-azanyl-2-cyclopentylsulfanyl-pyrimidin-4-yl)-1-(4-tert-butylphenyl)-3-ethyl-urea Openeye Name: 1-(6-amino-2-cyclopentylsulfanyl-pyrimidin-4-yl)-1-(4-tert-butylphenyl)-3-ethyl-urea CAS Name: 1-[6-amino-2-(cyclopentylthio)-4-pyrimidinyl]-1-(4-tert-butylphenyl)-3-ethylurea IUPAC Name: 1-(6-amino-2-cyclopentylsulfanylpyrimidin-4-yl)-1-(4-tert-butylphenyl)-3-ethylurea Traditional Name: 1-[6-amino-2-(cyclopentylthio)pyrimidin-4-yl]-1-(4-tert-butylphenyl)-3-ethyl-urea Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C1=CC=C(C=C1)C(C)(C)C)C2=NC(=NC(=C2)N)SC3CCCC3

Isomeric SMILES

CCNC(=O)N(C1=CC=C(C=C1)C(C)(C)C)C2=NC(=NC(=C2)N)SC3CCCC3

InChI

InChI=1S/C22H31N5OS/c1-5-24-21(28)27(16-12-10-15(11-13-16)22(2,3)4)19-14-18(23)25-20(26-19)29-17-8-6-7-9-17/h10-14,17H,5-9H2,1-4H3,(H,24,28)(H2,23,25,26)