N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3-(2-pyrimidylamino)benzamide Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C21H18N6O2/c1-27(13-18-25-17-9-3-2-8-16(17)19(28)26-18)20(29)14-6-4-7-15(12-14)24-21-22-10-5-11-23-21/h2-12H,13H2,1H3,(H,22,23,24)(H,25,26,28)