(4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)-4-pyrazolyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]methanone Formula: C22H25N6OS+ MolecularWeight: 421.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CSC5=CC=CC=C5C4=N3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CSC5=CC=CC=C5C4=N3)C

InChI

InChI=1S/C22H24N6OS/c1-3-26-8-10-27(11-9-26)21(29)18-13-24-28(15(18)2)22-23-12-16-14-30-19-7-5-4-6-17(19)20(16)25-22/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1