[4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazolin-6-yl] ethanoate

Systemtic Name: [4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazolin-6-yl] ethanoate Openeye Name: [4-(benzylamino)-2-(3-pyridyl)quinazolin-6-yl] acetate CAS Name: acetic acid [4-[(phenylmethyl)amino]-2-(3-pyridinyl)-6-quinazolinyl] ester IUPAC Name: [4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl] acetate Traditional Name: acetic acid [4-(benzylamino)-2-(3-pyridyl)quinazolin-6-yl] ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H18N4O2/c1-15(27)28-18-9-10-20-19(12-18)22(24-13-16-6-3-2-4-7-16)26-21(25-20)17-8-5-11-23-14-17/h2-12,14H,13H2,1H3,(H,24,25,26)