1-[4-[6-azanyl-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chloranyl-phenyl]-3-butyl-urea

Systemtic Name: 1-[4-[6-azanyl-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chloranyl-phenyl]-3-butyl-urea Openeye Name: 1-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chloro-phenyl]-3-butyl-urea CAS Name: 1-[4-[[6-amino-5-[(E)-methoxyiminomethyl]-4-pyrimidinyl]oxy]-2-chlorophenyl]-3-butylurea IUPAC Name: 1-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chlorophenyl]-3-butylurea Traditional Name: 1-[4-[6-amino-5-[(E)-methyloximinomethyl]pyrimidin-4-yl]oxy-2-chloro-phenyl]-3-butyl-urea Formula: C17H21ClN6O3 MolecularWeight: 392.84004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC(=C2C=NOC)N)Cl

Isomeric SMILES

CCCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC(=C2/C=N/OC)N)Cl

InChI

InChI=1S/C17H21ClN6O3/c1-3-4-7-20-17(25)24-14-6-5-11(8-13(14)18)27-16-12(9-23-26-2)15(19)21-10-22-16/h5-6,8-10H,3-4,7H2,1-2H3,(H2,19,21,22)(H2,20,24,25)/b23-9+