[2-(1,3-benzoxazol-2-ylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzoxazol-2-ylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzoxazol-2-ylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzoxazol-2-ylamino)-5-pyrimidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzoxazol-2-ylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzoxazol-2-ylamino)pyrimidin-5-yl]-(4-phenylpiperazino)methanone Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN=C(N=C3)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN=C(N=C3)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N6O2/c29-20(28-12-10-27(11-13-28)17-6-2-1-3-7-17)16-14-23-21(24-15-16)26-22-25-18-8-4-5-9-19(18)30-22/h1-9,14-15H,10-13H2,(H,23,24,25,26)