[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine

Systemtic Name: [4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine Openeye Name: [4-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine CAS Name: [4-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyrazinyl]-2-morpholinyl]methanamine IUPAC Name: [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine Traditional Name: [4-[3-[(5-bromo-2-methoxy-benzyl)thio]pyrazin-2-yl]morpholin-2-yl]methylamine Formula: C17H21BrN4O2S MolecularWeight: 425.34324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCOC(C3)CN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=CN=C2N3CCOC(C3)CN

InChI

InChI=1S/C17H21BrN4O2S/c1-23-15-3-2-13(18)8-12(15)11-25-17-16(20-4-5-21-17)22-6-7-24-14(9-19)10-22/h2-5,8,14H,6-7,9-11,19H2,1H3