N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-N6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-N6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-N2-cycloheptyl-N6-(tetrahydrofuran-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-N2-cycloheptyl-N6-(2-oxolanylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-(tetrahydrofurfuryl)amine Formula: C22H31ClN6O2 MolecularWeight: 446.97354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCO3)NC4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCCO3)NC4CCCCCC4)Cl

InChI

InChI=1S/C22H31ClN6O2/c1-30-19-11-10-16(13-18(19)23)26-22-28-20(24-14-17-9-6-12-31-17)27-21(29-22)25-15-7-4-2-3-5-8-15/h10-11,13,15,17H,2-9,12,14H2,1H3,(H3,24,25,26,27,28,29)