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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=C(C=C4C(=N3)C)C)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)NC3=NC4=C(C=C(C=C4C(=N3)C)C)C

InChI

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