1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]amino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]amino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amino]-3-pyrazolin-3-one Formula: C28H31N9O+2 MolecularWeight: 509.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(=NC4=CC=CC=C43)C[NH+]5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]C(=NC4=CC=CC=C43)C[NH+]5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C28H29N9O/c1-20-25(27(38)37(34(20)2)21-9-4-3-5-10-21)33-26-22-11-6-7-12-23(22)31-24(32-26)19-35-15-17-36(18-16-35)28-29-13-8-14-30-28/h3-14H,15-19H2,1-2H3,(H,31,32,33)/p+2