[5-[4-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-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-[[(2,4-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-[(2,4-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-[(2,4-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

Click to see the large picture

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=C(C=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=C(C=C6)Cl)Cl)OC

InChI

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