3-(2-chloranylpyridin-3-yl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chloro-3-pyridyl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chloro-3-pyridinyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chloropyridin-3-yl)-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chloro-3-pyridyl)-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H14ClN7OS MolecularWeight: 435.88946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(N=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(N=CC=C3)Cl)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H14ClN7OS/c1-11-4-2-5-12-15(11)20(29)28(13-6-3-7-22-17(13)21)14(27-12)8-30-19-16-18(24-9-23-16)25-10-26-19/h2-7,9-10H,8H2,1H3,(H,23,24,25,26)