2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]-1-phenyl-ethanone

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]-1-phenyl-ethanone Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloro-1,3,5-triazin-2-yl]amino]-1-phenyl-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloro-1,3,5-triazin-2-yl]amino]-1-phenylethanone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloro-1,3,5-triazin-2-yl]amino]-1-phenylethanone Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-6-chloro-s-triazin-2-yl]amino]-1-phenyl-ethanone Formula: C18H14ClN5O3 MolecularWeight: 383.78846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC(=N3)Cl)NCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC(=N3)Cl)NCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H14ClN5O3/c19-16-22-17(20-9-13(25)11-4-2-1-3-5-11)24-18(23-16)21-12-6-7-14-15(8-12)27-10-26-14/h1-8H,9-10H2,(H2,20,21,22,23,24)