N-[2-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]ethyl]-2-[1,3,7-trimethyl-2,4,5,6,8-pentakis(oxidanylidene)-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl]ethanamide

Systemtic Name: N-[2-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]ethyl]-2-[1,3,7-trimethyl-2,4,5,6,8-pentakis(oxidanylidene)-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl]ethanamide Openeye Name: N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(1,3,7-trimethyl-2,4,5,6,8-pentaoxo-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl)acetamide CAS Name: N-[2-[(6-chloro-2-methoxy-9-acridinyl)amino]ethyl]-2-(1,3,7-trimethyl-2,4,5,6,8-pentaoxo-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl)acetamide IUPAC Name: N-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(1,3,7-trimethyl-2,4,5,6,8-pentaoxo-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl)acetamide Traditional Name: N-[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]-2-(2,4,5,6,8-pentaketo-1,3,7-trimethyl-5aH-pyrimido[5,4-g]pteridin-5-ium-9-yl)acetamide Formula: C29H27ClN9O7+ MolecularWeight: 649.03378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=NC3=C([N+]2=O)C(=O)N(C(=O)N3C)C)N(C1=O)CC(=O)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC

Isomeric SMILES

CN1C(=O)C2C(=NC3=C([N+]2=O)C(=O)N(C(=O)N3C)C)N(C1=O)CC(=O)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC

InChI

InChI=1S/C29H26ClN9O7/c1-35-24-22(26(41)36(2)28(35)43)39(45)23-25(34-24)38(29(44)37(3)27(23)42)13-20(40)31-9-10-32-21-16-7-5-14(30)11-19(16)33-18-8-6-15(46-4)12-17(18)21/h5-8,11-12,23H,9-10,13H2,1-4H3,(H-,31,32,33,40)/p+1