N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-6-thiomorpholin-4-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-6-thiomorpholin-4-yl-1,3,5-triazine-2,4-diamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-N2-cycloheptyl-6-thiomorpholino-1,3,5-triazine-2,4-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-N2-cycloheptyl-6-thiomorpholin-4-yl-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-thiomorpholin-4-yl-1,3,5-triazine-2,4-diamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-thiomorpholino-s-triazin-2-yl]-cycloheptyl-amine Formula: C21H29ClN6OS MolecularWeight: 449.01256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCSCC3)NC4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCSCC3)NC4CCCCCC4)Cl

InChI

InChI=1S/C21H29ClN6OS/c1-29-18-9-8-16(14-17(18)22)24-20-25-19(23-15-6-4-2-3-5-7-15)26-21(27-20)28-10-12-30-13-11-28/h8-9,14-15H,2-7,10-13H2,1H3,(H2,23,24,25,26,27)