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

Systemtic Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-2-[(8-ethoxy-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H23N7O2S MolecularWeight: 449.52872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H23N7O2S/c1-5-31-17-8-6-7-16-14(4)25-20(28-19(16)17)29-21-26-15(10-18(30)27-21)11-32-22-23-12(2)9-13(3)24-22/h6-10H,5,11H2,1-4H3,(H2,25,26,27,28,29,30)