[5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)-2-pyrimidinyl]-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H31N6O3+ MolecularWeight: 463.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C5CC5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C5CC5

InChI

InChI=1S/C25H30N6O3/c1-4-29-11-13-30(14-12-29)24(32)20-16-27-31(23(20)17-5-6-17)25-26-10-9-21(28-25)19-15-18(33-2)7-8-22(19)34-3/h7-10,15-17H,4-6,11-14H2,1-3H3/p+1