2-azanyl-5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Openeye Name: 2-amino-5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-6-[(E)-styryl]-1H-pyrimidin-4-one CAS Name: 2-amino-5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-[2-[(2,5-dimethylphenyl)methylsulfinyl]ethyl]-6-[(E)-2-phenylethenyl]-1H-pyrimidin-4-one Traditional Name: 2-amino-5-[2-(2,5-dimethylbenzyl)sulfinylethyl]-6-[(E)-styryl]-1H-pyrimidin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)CCC2=C(NC(=NC2=O)N)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)CCC2=C(NC(=NC2=O)N)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O2S/c1-16-8-9-17(2)19(14-16)15-29(28)13-12-20-21(25-23(24)26-22(20)27)11-10-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3,(H3,24,25,26,27)/b11-10+