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

Systemtic Name: (2S)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one CAS Name: (2S)-1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(4-tert-butylphenoxy)-1-propanone IUPAC Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-tert-butylphenoxy)propan-1-one Traditional Name: (2S)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(4-tert-butylphenoxy)propan-1-one Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=N2)N)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H33N5O2/c1-18(33-20-11-9-19(10-12-20)26(2,3)4)25(32)31-15-13-30(14-16-31)17-23-28-22-8-6-5-7-21(22)24(27)29-23/h5-12,18H,13-17H2,1-4H3,(H2,27,28,29)/t18-/m0/s1