1-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-propyl-urea

Systemtic Name: 1-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-propyl-urea Openeye Name: 1-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-propyl-urea CAS Name: 1-[4-[[4-(1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-3-propylurea IUPAC Name: 1-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-propylurea Traditional Name: 1-[4-[[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]-3-propyl-urea Formula: C21H26N8OS MolecularWeight: 438.54914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCC4

Isomeric SMILES

CCCNC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CCC4

InChI

InChI=1S/C21H26N8OS/c1-3-9-22-20(30)23-15-5-7-16(8-6-15)31-21-25-17(24-18-12-14(2)27-28-18)13-19(26-21)29-10-4-11-29/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,22,23,30)(H2,24,25,26,27,28)