3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Openeye Name: 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one CAS Name: 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]-4-quinazolinone IUPAC Name: 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Traditional Name: 3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one Formula: C21H17N7O MolecularWeight: 383.40598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H17N7O/c1-13(26-19-17-18(23-11-22-17)24-12-25-19)20-27-16-10-6-5-9-15(16)21(29)28(20)14-7-3-2-4-8-14/h2-13H,1H3,(H2,22,23,24,25,26)/t13-/m0/s1