3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-[2-[2-dimethylaminoethyl(methyl)amino]phenyl]-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C26H28N8OS MolecularWeight: 500.61852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3N(C)CCN(C)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3N(C)CCN(C)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C26H28N8OS/c1-17-8-7-9-18-22(17)26(35)34(20-11-6-5-10-19(20)33(4)13-12-32(2)3)21(31-18)14-36-25-23-24(28-15-27-23)29-16-30-25/h5-11,15-16H,12-14H2,1-4H3,(H,27,28,29,30)