6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-pyrimidin-4-one Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-20(21-12)29-11-18-22-16-8-7-14(25(27)28)10-17(16)23-18/h2-8,10H,9,11H2,1H3,(H,22,23)(H,21,24,26)