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

Systemtic Name: 3-[2-[3-(dimethylamino)propylamino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-[2-[3-(dimethylamino)propylamino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-[2-[3-(dimethylamino)propylamino]phenyl]-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-[2-[3-(dimethylamino)propylamino]phenyl]-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-[2-[3-(dimethylamino)propylamino]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=C3NCCCN(C)C)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3NCCCN(C)C)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C26H28N8OS/c1-17-8-6-10-19-22(17)26(35)34(20-11-5-4-9-18(20)27-12-7-13-33(2)3)21(32-19)14-36-25-23-24(29-15-28-23)30-16-31-25/h4-6,8-11,15-16,27H,7,12-14H2,1-3H3,(H,28,29,30,31)