6-azanyl-2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[2-(3,4-dimethylphenoxy)ethylthio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[2-(3,4-dimethylphenoxy)ethylthio]-5-phenyl-1H-pyrimidin-4-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCSC2=NC(=O)C(=C(N2)N)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-13-8-9-16(12-14(13)2)25-10-11-26-20-22-18(21)17(19(24)23-20)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H3,21,22,23,24)