2-[5-azanyl-1-[(2-azanyl-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-[(2-azanyl-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[5-amino-1-[(2-amino-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenyl-quinazolin-4-one CAS Name: 2-[5-amino-1-[(2-amino-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenyl-4-quinazolinone IUPAC Name: 2-[5-amino-1-[(2-amino-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenylquinazolin-4-one Traditional Name: 2-[5-amino-1-[(2-amino-7H-purin-6-yl)amino]pentyl]-5-methyl-3-phenyl-quinazolin-4-one Formula: C25H27N9O MolecularWeight: 469.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CCCCN)NC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CCCCN)NC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C25H27N9O/c1-15-8-7-12-17-19(15)24(35)34(16-9-3-2-4-10-16)23(31-17)18(11-5-6-13-26)30-22-20-21(29-14-28-20)32-25(27)33-22/h2-4,7-10,12,14,18H,5-6,11,13,26H2,1H3,(H4,27,28,29,30,32,33)