5-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N=C(N=C3[O-])SC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=C(N=C(N=C3[O-])SC)C

InChI

InChI=1S/C21H29N5O2S/c1-4-25-11-13-26(14-12-25)17-7-5-16(6-8-17)23-19(27)10-9-18-15(2)22-21(29-3)24-20(18)28/h5-8H,4,9-14H2,1-3H3,(H,23,27)(H,22,24,28)