[5-[4-[[2,3-bis(chloranyl)phenyl]carbonylamino]-3-methoxy-phenyl]-7-[4-(4-methylpiperazine-1,4-diium-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]azanium

Systemtic Name: [5-[4-[[2,3-bis(chloranyl)phenyl]carbonylamino]-3-methoxy-phenyl]-7-[4-(4-methylpiperazine-1,4-diium-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]azanium Openeye Name: [5-[4-[(2,3-dichlorobenzoyl)amino]-3-methoxy-phenyl]-7-[4-(4-methylpiperazine-1,4-diium-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]ammonium CAS Name: [5-[4-[[(2,3-dichlorophenyl)-oxomethyl]amino]-3-methoxyphenyl]-7-[4-(4-methyl-1-piperazine-1,4-diiumyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinyl]ammonium IUPAC Name: [5-[4-[(2,3-dichlorobenzoyl)amino]-3-methoxyphenyl]-7-[4-(4-methylpiperazine-1,4-diium-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]azanium Traditional Name: [5-[4-[(2,3-dichlorobenzoyl)amino]-3-methoxy-phenyl]-7-[4-(4-methylpiperazine-1,4-diium-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]ammonium Formula: C31H38Cl2N7O2+3 MolecularWeight: 611.58512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4[NH3+])C5=CC(=C(C=C5)NC(=O)C6=C(C(=CC=C6)Cl)Cl)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4[NH3+])C5=CC(=C(C=C5)NC(=O)C6=C(C(=CC=C6)Cl)Cl)OC

InChI

InChI=1S/C31H35Cl2N7O2/c1-38-12-14-39(15-13-38)20-7-9-21(10-8-20)40-17-23(27-29(34)35-18-36-30(27)40)19-6-11-25(26(16-19)42-2)37-31(41)22-4-3-5-24(32)28(22)33/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3,(H,37,41)(H2,34,35,36)/p+3