5-chloranyl-N-(4-ethyl-3-nitro-phenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethyl-3-nitro-phenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-ethyl-3-nitro-phenyl)-2-(2-furylmethylamino)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethyl-3-nitrophenyl)-2-(2-furanylmethylamino)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethyl-3-nitrophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-ethyl-3-nitro-phenyl)-2-(2-furfurylamino)pyrimidine-4-carboxamide Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O4/c1-2-11-5-6-12(8-15(11)24(26)27)22-17(25)16-14(19)10-21-18(23-16)20-9-13-4-3-7-28-13/h3-8,10H,2,9H2,1H3,(H,22,25)(H,20,21,23)