2-[(6-aminopurin-9-yl)methyl]-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methyl-quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methyl-quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methyl-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methyl-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methylquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-[2-[3-(dimethylamino)propoxy]phenyl]-5-methyl-quinazolin-4-one Formula: C26H28N8O2 MolecularWeight: 484.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OCCCN(C)C)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3OCCCN(C)C)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C26H28N8O2/c1-17-8-6-9-18-22(17)26(35)34(19-10-4-5-11-20(19)36-13-7-12-32(2)3)21(31-18)14-33-16-30-23-24(27)28-15-29-25(23)33/h4-6,8-11,15-16H,7,12-14H2,1-3H3,(H2,27,28,29)