[4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

Systemtic Name: [4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Openeye Name: [4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone CAS Name: [4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone IUPAC Name: [4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Traditional Name: [4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Formula: C25H32ClN5O3S MolecularWeight: 518.07128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC5(CC4)OCCO5)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCC5(CC4)OCCO5)Cl

InChI

InChI=1S/C25H32ClN5O3S/c1-2-29-11-13-30(14-12-29)22-17-21(26)27-24(28-22)35-18-19-3-5-20(6-4-19)23(32)31-9-7-25(8-10-31)33-15-16-34-25/h3-6,17H,2,7-16,18H2,1H3