(2S)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one

Systemtic Name: (2S)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one CAS Name: (2S)-1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-methylphenoxy)-1-propanone IUPAC Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one Traditional Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-methylphenoxy)propan-1-one Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C23H27N5O2/c1-16-7-9-18(10-8-16)30-17(2)23(29)28-13-11-27(12-14-28)15-21-25-20-6-4-3-5-19(20)22(24)26-21/h3-10,17H,11-15H2,1-2H3,(H2,24,25,26)/t17-/m0/s1