2-[(6-ethyl-4-methyl-quinazolin-2-yl)amino]-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC=CC(=N4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC=CC(=N4)C

InChI

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