4-azanyl-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one Openeye Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one CAS Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-[(4-nitrophenyl)thio]propyl]-2-pyrimidinone IUPAC Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-(4-nitrophenyl)sulfanylpropyl]pyrimidin-2-one Traditional Name: 4-amino-5-(3,4-dichlorophenyl)-1-[3-[(4-nitrophenyl)thio]propyl]pyrimidin-2-one Formula: C19H16Cl2N4O3S MolecularWeight: 451.32634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCCCN2C=C(C(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCCCN2C=C(C(=NC2=O)N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N4O3S/c20-16-7-2-12(10-17(16)21)15-11-24(19(26)23-18(15)22)8-1-9-29-14-5-3-13(4-6-14)25(27)28/h2-7,10-11H,1,8-9H2,(H2,22,23,26)