1-[3-[5-azanyl-4-(3-cyano-5-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxyphenyl]urea

Systemtic Name: 1-[3-[5-azanyl-4-(3-cyano-5-phenoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxyphenyl]urea Openeye Name: [3-[5-amino-4-(benzylamino)-6-(3-cyano-5-phenoxy-phenoxy)pyrimidin-2-yl]oxyphenyl]urea CAS Name: [3-[[5-amino-4-(3-cyano-5-phenoxyphenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]phenyl]urea IUPAC Name: [3-[5-amino-4-(benzylamino)-6-(3-cyano-5-phenoxyphenoxy)pyrimidin-2-yl]oxyphenyl]urea Traditional Name: [3-[5-amino-4-(benzylamino)-6-(3-cyano-5-phenoxy-phenoxy)pyrimidin-2-yl]oxyphenyl]urea Formula: C31H25N7O4 MolecularWeight: 559.5747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=CC=CC(=C3)NC(=O)N)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC(=N2)OC3=CC=CC(=C3)NC(=O)N)OC4=CC(=CC(=C4)OC5=CC=CC=C5)C#N)N

InChI

InChI=1S/C31H25N7O4/c32-18-21-14-25(40-23-11-5-2-6-12-23)17-26(15-21)41-29-27(33)28(35-19-20-8-3-1-4-9-20)37-31(38-29)42-24-13-7-10-22(16-24)36-30(34)39/h1-17H,19,33H2,(H3,34,36,39)(H,35,37,38)