3-[[2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-6-phenylazanyl-pyrimidin-4-yl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-6-phenylazanyl-pyrimidin-4-yl]amino]propyl-trimethyl-azanium Openeye Name: 3-[[6-anilino-2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]pyrimidin-4-yl]amino]propyl-trimethyl-ammonium CAS Name: 3-[[6-anilino-2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]-4-pyrimidinyl]amino]propyl-trimethylammonium IUPAC Name: 3-[[6-anilino-2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]pyrimidin-4-yl]amino]propyl-trimethylazanium Traditional Name: 3-[[6-anilino-2-(ethylamino)-5-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]pyrimidin-4-yl]amino]propyl-trimethyl-ammonium Formula: C27H38N9OS+ MolecularWeight: 536.71532

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(C(=N1)NCCC[N+](C)(C)C)N=NC2N(C3=C(S2)C=C(C=C3)OC)C)NC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=C(C(=N1)NCCC[N+](C)(C)C)N=NC2N(C3=C(S2)C=C(C=C3)OC)C)NC4=CC=CC=C4

InChI

InChI=1S/C27H38N9OS/c1-7-28-26-31-24(29-16-11-17-36(3,4)5)23(25(32-26)30-19-12-9-8-10-13-19)33-34-27-35(2)21-15-14-20(37-6)18-22(21)38-27/h8-10,12-15,18,27H,7,11,16-17H2,1-6H3,(H3,28,29,30,31,32)/q+1