5-chloranyl-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 2-(benzylamino)-5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 2-(benzylamino)-5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylamino)-5-chloro-N-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)NCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NC(=NC=C3Cl)NCC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O3/c1-12-19(28)26-16-9-14(7-8-17(16)30-12)25-20(29)18-15(22)11-24-21(27-18)23-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,25,29)(H,26,28)(H,23,24,27)