4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methoxy]-3-chloranyl-5-methoxy-benzenecarbonitrile

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methoxy]-3-chloranyl-5-methoxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-5-methoxy-benzonitrile CAS Name: 3-chloro-4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-5-methoxybenzonitrile IUPAC Name: 3-chloro-4-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-5-methoxybenzonitrile Traditional Name: 3-chloro-4-[(4,6-diamino-s-triazin-2-yl)methoxy]-5-methoxy-benzonitrile Formula: C12H11ClN6O2 MolecularWeight: 306.70774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Cl)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Cl)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H11ClN6O2/c1-20-8-3-6(4-14)2-7(13)10(8)21-5-9-17-11(15)19-12(16)18-9/h2-3H,5H2,1H3,(H4,15,16,17,18,19)