4-azanyl-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]pyrimidin-2-one Openeye Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]pyrimidin-2-one CAS Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]-2-pyrimidinone IUPAC Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]pyrimidin-2-one Traditional Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(3-nitrophenoxy)propyl]pyrimidin-2-one Formula: C19H16Cl2N4O4 MolecularWeight: 435.26074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCN2C=C(C(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCN2C=C(C(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N4O4/c20-16-6-5-12(9-17(16)21)15-11-24(19(26)23-18(15)22)7-2-8-29-14-4-1-3-13(10-14)25(27)28/h1,3-6,9-11H,2,7-8H2,(H2,22,23,26)