6-(4-ethyl-3-methoxy-phenyl)-8-methyl-2-[4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 6-(4-ethyl-3-methoxy-phenyl)-8-methyl-2-[4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 6-(4-ethyl-3-methoxy-phenyl)-8-methyl-2-[4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-(4-ethyl-3-methoxyphenyl)-8-methyl-2-[4-(4-methyl-4-oxido-1-piperazin-4-iumyl)butylamino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 6-(4-ethyl-3-methoxyphenyl)-8-methyl-2-[4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 6-(4-ethyl-3-methoxy-phenyl)-8-methyl-2-[4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one Formula: C26H36N6O3 MolecularWeight: 480.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC3=CN=C(N=C3N(C2=O)C)NCCCCN4CC[N+](CC4)(C)[O-])OC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC3=CN=C(N=C3N(C2=O)C)NCCCCN4CC[N+](CC4)(C)[O-])OC

InChI

InChI=1S/C26H36N6O3/c1-5-19-8-9-20(17-23(19)35-4)22-16-21-18-28-26(29-24(21)30(2)25(22)33)27-10-6-7-11-31-12-14-32(3,34)15-13-31/h8-9,16-18H,5-7,10-15H2,1-4H3,(H,27,28,29)