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

Systemtic Name: 2-[5-azanyl-1-(7H-purin-6-ylamino)pentyl]-5-methyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[5-amino-1-(7H-purin-6-ylamino)pentyl]-5-methyl-3-phenyl-quinazolin-4-one CAS Name: 2-[5-amino-1-(7H-purin-6-ylamino)pentyl]-5-methyl-3-phenyl-4-quinazolinone IUPAC Name: 2-[5-amino-1-(7H-purin-6-ylamino)pentyl]-5-methyl-3-phenylquinazolin-4-one Traditional Name: 2-[5-amino-1-(7H-purin-6-ylamino)pentyl]-5-methyl-3-phenyl-quinazolin-4-one Formula: C25H26N8O MolecularWeight: 454.52694

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N8O/c1-16-8-7-12-18-20(16)25(34)33(17-9-3-2-4-10-17)24(32-18)19(11-5-6-13-26)31-23-21-22(28-14-27-21)29-15-30-23/h2-4,7-10,12,14-15,19H,5-6,11,13,26H2,1H3,(H2,27,28,29,30,31)