6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-[(4,8-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C21H21N7OS/c1-11-6-5-7-16-14(4)24-19(27-18(11)16)28-20-25-15(9-17(29)26-20)10-30-21-22-12(2)8-13(3)23-21/h5-9H,10H2,1-4H3,(H2,24,25,26,27,28,29)