3,5-dimethyl-2-[[4-(6-pyrimidin-2-ylsulfanylpyridin-3-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,5-dimethyl-2-[[4-(6-pyrimidin-2-ylsulfanylpyridin-3-yl)carbonylphenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3,5-dimethyl-2-[[4-(6-pyrimidin-2-ylsulfanylpyridine-3-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3,5-dimethyl-2-[[4-[oxo-[6-(2-pyrimidinylthio)-3-pyridinyl]methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3,5-dimethyl-2-[[4-(6-pyrimidin-2-ylsulfanylpyridine-3-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-[6-(2-pyrimidylthio)nicotinoyl]benzyl]thio]quinazolin-4-one Formula: C27H21N5O2S2 MolecularWeight: 511.61794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)SC5=NC=CC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)SC5=NC=CC=N5

InChI

InChI=1S/C27H21N5O2S2/c1-17-5-3-6-21-23(17)25(34)32(2)27(31-21)35-16-18-7-9-19(10-8-18)24(33)20-11-12-22(30-15-20)36-26-28-13-4-14-29-26/h3-15H,16H2,1-2H3