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

Systemtic Name: 5-methyl-3-(6-methylpyridin-3-yl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-methyl-3-(6-methyl-3-pyridyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(6-methyl-3-pyridinyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(6-methylpyridin-3-yl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-(6-methyl-3-pyridyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N7OS/c1-12-4-3-5-15-17(12)21(29)28(14-7-6-13(2)22-8-14)16(27-15)9-30-20-18-19(24-10-23-18)25-11-26-20/h3-8,10-11H,9H2,1-2H3,(H,23,24,25,26)