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

Systemtic Name: 2-[[(2-fluoranyl-7H-purin-6-yl)amino]-phenyl-methyl]-5-methyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]-phenyl-methyl]-5-methyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]-phenylmethyl]-5-methyl-3-phenyl-4-quinazolinone IUPAC Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]-phenylmethyl]-5-methyl-3-phenylquinazolin-4-one Traditional Name: 2-[[(2-fluoro-7H-purin-6-yl)amino]-phenyl-methyl]-5-methyl-3-phenyl-quinazolin-4-one Formula: C27H20FN7O MolecularWeight: 477.492403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(C4=CC=CC=C4)NC5=NC(=NC6=C5NC=N6)F

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(C4=CC=CC=C4)NC5=NC(=NC6=C5NC=N6)F

InChI

InChI=1S/C27H20FN7O/c1-16-9-8-14-19-20(16)26(36)35(18-12-6-3-7-13-18)25(31-19)21(17-10-4-2-5-11-17)32-24-22-23(30-15-29-22)33-27(28)34-24/h2-15,21H,1H3,(H2,29,30,32,33,34)