2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-5-(1-naphthalenylmethyl)-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-4-one Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O4S/c1-36-26-15-14-19(16-25(26)32(34)35)18-37-29-30-27(21-9-3-2-4-10-21)24(28(33)31-29)17-22-12-7-11-20-8-5-6-13-23(20)22/h2-16H,17-18H2,1H3,(H,30,31,33)