[3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

Systemtic Name: [3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Openeye Name: [3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone CAS Name: [3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone IUPAC Name: [3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Traditional Name: [3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone Formula: C27H29ClN4O3S MolecularWeight: 525.06216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5(CC4)OCCO5)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCC5(CC4)OCCO5)Cl

InChI

InChI=1S/C27H29ClN4O3S/c1-31(18-20-6-3-2-4-7-20)24-17-23(28)29-26(30-24)36-19-21-8-5-9-22(16-21)25(33)32-12-10-27(11-13-32)34-14-15-35-27/h2-9,16-17H,10-15,18-19H2,1H3