2-[[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(2,6-diaminopyrimidin-4-yl)sulfanylmethyl]-5-methyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(2,6-diamino-4-pyrimidinyl)thio]methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2,6-diaminopyrimidin-4-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(2,6-diaminopyrimidin-4-yl)thio]methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one Formula: C21H20N6OS MolecularWeight: 404.4881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=NC(=C4)N)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CSC4=NC(=NC(=C4)N)N

InChI

InChI=1S/C21H20N6OS/c1-12-6-3-4-9-15(12)27-17(11-29-18-10-16(22)25-21(23)26-18)24-14-8-5-7-13(2)19(14)20(27)28/h3-10H,11H2,1-2H3,(H4,22,23,25,26)