6-azanyl-2-[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=O)C=C(N3)N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=O)C=C(N3)N)C)C

InChI

InChI=1S/C20H22N4O2S/c1-11-5-12(2)7-15(6-11)24-13(3)8-16(14(24)4)17(25)10-27-20-22-18(21)9-19(26)23-20/h5-9H,10H2,1-4H3,(H3,21,22,23,26)